 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895309/Gau-215941.inp" -scrdir="/scratch/9895309/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    215942.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.793689000000      1.190620000000     -0.156518000000
  C                                                -1.551056000000     -0.043885000000      0.297824000000
  C                                                 0.701147000000      1.014971000000      0.048082000000
  C                                                 1.177559000000     -0.278556000000     -0.610962000000
  O                                                 0.413609000000     -1.380350000000     -0.114097000000
  C                                                -0.977320000000     -1.278667000000     -0.386801000000
  O                                                -1.184574000000      2.352948000000      0.567771000000
  H                                                -0.984626000000      1.341123000000     -1.226770000000
  O                                                -2.918364000000      0.149939000000     -0.034878000000
  H                                                -1.428133000000     -0.171675000000      1.379497000000
  H                                                 0.904330000000      0.955707000000      1.122720000000
  O                                                 1.423511000000      2.094539000000     -0.530836000000
  C                                                 2.632076000000     -0.601623000000     -0.321651000000
  H                                                 1.050486000000     -0.191075000000     -1.698035000000
  O                                                -1.616032000000     -2.396870000000      0.142258000000
  H                                                -1.127036000000     -1.213485000000     -1.473057000000
  H                                                -2.124319000000      2.502750000000      0.407364000000
  H                                                -3.417093000000     -0.607125000000      0.296117000000
  H                                                 1.024823000000      2.912014000000     -0.206129000000
  O                                                 2.884080000000     -0.778209000000      1.067370000000
  H                                                 3.258652000000      0.223337000000     -0.656086000000
  H                                                 2.907826000000     -1.499825000000     -0.883641000000
  H                                                -1.489093000000     -3.149228000000     -0.448500000000
  H                                                 2.274041000000     -1.455654000000      1.385972000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:15:05 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.793689    1.190620   -0.156518
      2          6           0       -1.551056   -0.043885    0.297824
      3          6           0        0.701147    1.014971    0.048082
      4          6           0        1.177559   -0.278556   -0.610962
      5          8           0        0.413609   -1.380350   -0.114097
      6          6           0       -0.977320   -1.278667   -0.386801
      7          8           0       -1.184574    2.352948    0.567771
      8          1           0       -0.984626    1.341123   -1.226770
      9          8           0       -2.918364    0.149939   -0.034878
     10          1           0       -1.428133   -0.171675    1.379497
     11          1           0        0.904330    0.955707    1.122720
     12          8           0        1.423511    2.094539   -0.530836
     13          6           0        2.632076   -0.601623   -0.321651
     14          1           0        1.050486   -0.191075   -1.698035
     15          8           0       -1.616032   -2.396870    0.142258
     16          1           0       -1.127036   -1.213485   -1.473057
     17          1           0       -2.124319    2.502750    0.407364
     18          1           0       -3.417093   -0.607125    0.296117
     19          1           0        1.024823    2.912014   -0.206129
     20          8           0        2.884080   -0.778209    1.067370
     21          1           0        3.258652    0.223337   -0.656086
     22          1           0        2.907826   -1.499825   -0.883641
     23          1           0       -1.489093   -3.149228   -0.448500
     24          1           0        2.274041   -1.455654    1.385972
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.517904   0.000000
     3  C    1.518963   2.501193   0.000000
     4  C    2.500163   2.885533   1.527913   0.000000
     5  O    2.840643   2.411582   2.417963   1.429841   0.000000
     6  C    2.486791   1.523998   2.875265   2.386205   1.421053
     7  O    1.424216   2.439670   2.369853   3.727452   4.117845
     8  H    1.097519   2.136230   2.138563   2.770852   3.255690
     9  O    2.368978   1.420489   3.722368   4.158373   3.667438
    10  H    2.148886   1.096110   2.777522   3.280698   2.661528
    11  H    2.138902   2.776429   1.095282   2.145626   2.688436
    12  O    2.423460   3.756006   1.422119   2.387152   3.642585
    13  C    3.869789   4.265374   2.545303   1.517792   2.360316
    14  H    2.772424   3.282246   2.150700   1.097965   2.080588
    15  O    3.692641   2.359017   4.125390   3.585909   2.284398
    16  H    2.761180   2.164203   3.259161   2.632196   2.061117
    17  H    1.951980   2.612658   3.213383   4.435657   4.668133
    18  H    3.212322   1.949189   4.433127   4.694846   3.929431
    19  H    2.504525   3.953032   1.941175   3.219776   4.336639
    20  O    4.347433   4.560906   3.003271   2.445131   2.803866
    21  H    4.196031   4.910666   2.768279   2.141233   3.310564
    22  H    4.633402   4.837070   3.473001   2.135340   2.612966
    23  H    4.404897   3.194369   4.731205   3.921503   2.619357
    24  H    4.335090   4.220015   3.219927   2.564289   2.391043
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.760690   0.000000
     8  H    2.751164   2.069818   0.000000
     9  O    2.435655   2.867484   2.564931   0.000000
    10  H    2.132715   2.663070   3.045962   2.079587   0.000000
    11  H    3.288113   2.573669   3.039211   4.074590   2.603326
    12  O    4.142856   2.841799   2.617457   4.783233   4.113025
    13  C    3.672924   4.907889   4.204050   5.608428   4.423128
    14  H    2.648431   4.074484   2.590637   4.316729   3.951599
    15  O    1.392205   4.788318   4.030571   2.865952   2.552951
    16  H    1.098461   4.109469   2.570401   2.671355   3.051736
    17  H    4.030561   0.965035   2.306224   2.522262   2.929551
    18  H    2.621038   3.717522   3.468681   0.965108   2.306359
    19  H    4.647906   2.406847   2.747233   4.817376   4.247392
    20  O    4.156378   5.158264   4.972075   5.978693   4.365832
    21  H    4.502443   5.076941   4.424990   6.208608   5.124996
    22  H    3.923024   5.805015   4.831139   6.114459   5.068167
    23  H    1.940288   5.603524   4.585133   3.619171   3.494440
    24  H    3.707479   5.209311   5.026658   5.617634   3.918512
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.073821   0.000000
    13  C    2.737990   2.962039   0.000000
    14  H    3.048463   2.593363   2.136448   0.000000
    15  O    4.307355   5.464854   4.635142   3.919506   0.000000
    16  H    3.945871   4.282066   3.978823   2.416100   2.061252
    17  H    3.475312   3.692418   5.726420   4.665703   4.933043
    18  H    4.669091   5.604845   6.080634   4.910092   2.543753
    19  H    2.368015   0.965739   3.865521   3.443197   5.939675
    20  O    2.632288   3.597250   1.422697   3.369608   4.871027
    21  H    3.040288   2.623895   1.088579   2.476569   5.591546
    22  H    3.750882   3.904755   1.094823   2.413664   4.724664
    23  H    5.004767   5.998928   4.846691   4.094077   0.964962
    24  H    2.785691   4.123278   1.942559   3.550682   4.191107
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.282635   0.000000
    18  H    2.956689   3.369713   0.000000
    19  H    4.822380   3.234342   5.689219   0.000000
    20  O    4.767839   6.023650   6.350503   4.323931   0.000000
    21  H    4.686807   5.941635   6.794257   3.524406   2.028226
    22  H    4.087727   6.558184   6.495640   4.844486   2.080321
    23  H    2.219888   5.751597   3.276267   6.566367   5.200407
    24  H    4.449721   5.997683   5.856346   4.813715   0.965705
                   21         22         23         24
    21  H    0.000000
    22  H    1.773174   0.000000
    23  H    5.827381   4.716225   0.000000
    24  H    2.821076   2.356858   4.516044   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.68D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.793689    1.190620   -0.156518
      2          6           0       -1.551056   -0.043885    0.297824
      3          6           0        0.701147    1.014971    0.048082
      4          6           0        1.177559   -0.278556   -0.610962
      5          8           0        0.413609   -1.380350   -0.114097
      6          6           0       -0.977320   -1.278667   -0.386801
      7          8           0       -1.184574    2.352948    0.567771
      8          1           0       -0.984626    1.341123   -1.226770
      9          8           0       -2.918364    0.149939   -0.034878
     10          1           0       -1.428133   -0.171675    1.379497
     11          1           0        0.904330    0.955707    1.122720
     12          8           0        1.423511    2.094539   -0.530836
     13          6           0        2.632076   -0.601623   -0.321651
     14          1           0        1.050486   -0.191075   -1.698035
     15          8           0       -1.616032   -2.396870    0.142258
     16          1           0       -1.127036   -1.213485   -1.473057
     17          1           0       -2.124319    2.502750    0.407364
     18          1           0       -3.417093   -0.607125    0.296117
     19          1           0        1.024823    2.912014   -0.206129
     20          8           0        2.884080   -0.778209    1.067370
     21          1           0        3.258652    0.223337   -0.656086
     22          1           0        2.907826   -1.499825   -0.883641
     23          1           0       -1.489093   -3.149228   -0.448500
     24          1           0        2.274041   -1.455654    1.385972
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1749284           0.8108640           0.5309125
 Leave Link  202 at Wed Mar 16 19:15:06 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       830.9961288856 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0393371428 Hartrees.
 Nuclear repulsion after empirical dispersion term =      830.9567917428 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1728
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.19D-11
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =     119
 GePol: Fraction of low-weight points (<1% of avg)   =       6.89%
 GePol: Cavity surface area                          =    226.800 Ang**2
 GePol: Cavity volume                                =    233.402 Ang**3
 Leave Link  301 at Wed Mar 16 19:15:07 2022, MaxMem=  5368709120 cpu:               7.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  5.72D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:15:07 2022, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:15:08 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer03_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:15:09 2022, MaxMem=  5368709120 cpu:               9.7 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368369012 LenY=  5368202107
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8957952.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.94D-15 for   1696    240.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.69D-15 for   1357    761.
 E= -687.339205271245    
 DIIS: error= 2.05D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.339205271245     IErMin= 1 ErrMin= 2.05D-03
 ErrMax= 2.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.33D-03 BMatP= 9.33D-03
 IDIUse=3 WtCom= 9.79D-01 WtEn= 2.05D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.298 Goal=   None    Shift=    0.000
 GapD=    0.298 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.32D-02 MaxDP=9.51D-01              OVMax= 2.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.30D-02    CP:  1.08D+00
 E= -687.348701055401     Delta-E=       -0.009495784157 Rises=F Damp=F
 DIIS: error= 3.07D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.348701055401     IErMin= 2 ErrMin= 3.07D-04
 ErrMax= 3.07D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-04 BMatP= 9.33D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.07D-03
 Coeff-Com: -0.370D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.369D-02 0.100D+01
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=7.45D-04 MaxDP=6.96D-02 DE=-9.50D-03 OVMax= 3.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.25D-04    CP:  1.06D+00  1.02D+00
 E= -687.348567497073     Delta-E=        0.000133558329 Rises=F Damp=F
 DIIS: error= 3.85D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.348701055401     IErMin= 2 ErrMin= 3.07D-04
 ErrMax= 3.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-04 BMatP= 1.83D-04
 IDIUse=3 WtCom= 3.37D-01 WtEn= 6.63D-01
 Coeff-Com: -0.152D-01 0.614D+00 0.401D+00
 Coeff-En:   0.000D+00 0.645D+00 0.355D+00
 Coeff:     -0.511D-02 0.634D+00 0.371D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=9.77D-05 MaxDP=9.70D-03 DE= 1.34D-04 OVMax= 1.86D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.70D-05    CP:  1.06D+00  1.03D+00  9.30D-01
 E= -687.348855743765     Delta-E=       -0.000288246692 Rises=F Damp=F
 DIIS: error= 3.25D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.348855743765     IErMin= 4 ErrMin= 3.25D-05
 ErrMax= 3.25D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-06 BMatP= 1.83D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.343D-02 0.991D-01 0.428D-01 0.862D+00
 Coeff:     -0.343D-02 0.991D-01 0.428D-01 0.862D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=2.77D-05 MaxDP=1.68D-03 DE=-2.88D-04 OVMax= 2.63D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.74D-05    CP:  1.06D+00  1.03D+00  9.56D-01  1.14D+00
 E= -687.348856331501     Delta-E=       -0.000000587736 Rises=F Damp=F
 DIIS: error= 2.35D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.348856331501     IErMin= 5 ErrMin= 2.35D-05
 ErrMax= 2.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-07 BMatP= 1.08D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-03 0.107D-03-0.109D-01 0.454D+00 0.557D+00
 Coeff:     -0.661D-03 0.107D-03-0.109D-01 0.454D+00 0.557D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=9.05D-06 MaxDP=6.57D-04 DE=-5.88D-07 OVMax= 1.05D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.60D-06    CP:  1.06D+00  1.03D+00  9.65D-01  1.15D+00  7.17D-01
 E= -687.348856859718     Delta-E=       -0.000000528218 Rises=F Damp=F
 DIIS: error= 2.43D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.348856859718     IErMin= 6 ErrMin= 2.43D-06
 ErrMax= 2.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-08 BMatP= 5.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-04-0.722D-02-0.647D-02 0.113D+00 0.207D+00 0.694D+00
 Coeff:      0.168D-04-0.722D-02-0.647D-02 0.113D+00 0.207D+00 0.694D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.89D-06 MaxDP=2.22D-04 DE=-5.28D-07 OVMax= 2.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.06D+00  1.03D+00  9.67D-01  1.15D+00  7.48D-01
                    CP:  9.58D-01
 E= -687.348856870433     Delta-E=       -0.000000010715 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.348856870433     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.33D-09 BMatP= 1.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.651D-04-0.414D-02-0.264D-02 0.291D-01 0.732D-01 0.383D+00
 Coeff-Com:  0.521D+00
 Coeff:      0.651D-04-0.414D-02-0.264D-02 0.291D-01 0.732D-01 0.383D+00
 Coeff:      0.521D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=4.25D-07 MaxDP=2.22D-05 DE=-1.07D-08 OVMax= 9.94D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.15D-07    CP:  1.06D+00  1.03D+00  9.67D-01  1.15D+00  7.58D-01
                    CP:  9.60D-01  8.98D-01
 E= -687.348856872797     Delta-E=       -0.000000002364 Rises=F Damp=F
 DIIS: error= 2.41D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.348856872797     IErMin= 8 ErrMin= 2.41D-07
 ErrMax= 2.41D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-10 BMatP= 3.33D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.186D-04-0.508D-03 0.366D-04-0.370D-02-0.540D-03 0.519D-01
 Coeff-Com:  0.208D+00 0.744D+00
 Coeff:      0.186D-04-0.508D-03 0.366D-04-0.370D-02-0.540D-03 0.519D-01
 Coeff:      0.208D+00 0.744D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.24D-07 MaxDP=8.64D-06 DE=-2.36D-09 OVMax= 2.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.37D-08    CP:  1.06D+00  1.03D+00  9.67D-01  1.15D+00  7.57D-01
                    CP:  9.69D-01  9.44D-01  9.14D-01
 E= -687.348856872889     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 6.05D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.348856872889     IErMin= 9 ErrMin= 6.05D-08
 ErrMax= 6.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.84D-12 BMatP= 1.65D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.484D-05-0.605D-04 0.130D-03-0.272D-02-0.283D-02 0.966D-02
 Coeff-Com:  0.749D-01 0.339D+00 0.582D+00
 Coeff:      0.484D-05-0.605D-04 0.130D-03-0.272D-02-0.283D-02 0.966D-02
 Coeff:      0.749D-01 0.339D+00 0.582D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.50D-08 MaxDP=3.13D-06 DE=-9.25D-11 OVMax= 5.20D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.63D-08    CP:  1.06D+00  1.03D+00  9.67D-01  1.15D+00  7.57D-01
                    CP:  9.70D-01  9.53D-01  9.17D-01  9.01D-01
 E= -687.348856872883     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 2.51D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -687.348856872889     IErMin=10 ErrMin= 2.51D-08
 ErrMax= 2.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-12 BMatP= 9.84D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.876D-06 0.174D-04 0.603D-04-0.103D-02-0.130D-02-0.361D-03
 Coeff-Com:  0.165D-01 0.986D-01 0.317D+00 0.570D+00
 Coeff:      0.876D-06 0.174D-04 0.603D-04-0.103D-02-0.130D-02-0.361D-03
 Coeff:      0.165D-01 0.986D-01 0.317D+00 0.570D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=1.74D-06 DE= 6.37D-12 OVMax= 2.07D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.28D-09    CP:  1.06D+00  1.03D+00  9.67D-01  1.15D+00  7.57D-01
                    CP:  9.70D-01  9.53D-01  9.21D-01  9.15D-01  9.37D-01
 E= -687.348856872932     Delta-E=       -0.000000000049 Rises=F Damp=F
 DIIS: error= 6.81D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -687.348856872932     IErMin=11 ErrMin= 6.81D-09
 ErrMax= 6.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-13 BMatP= 1.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.931D-08 0.149D-04 0.192D-04-0.315D-03-0.420D-03-0.114D-02
 Coeff-Com:  0.135D-02 0.192D-01 0.112D+00 0.283D+00 0.586D+00
 Coeff:      0.931D-08 0.149D-04 0.192D-04-0.315D-03-0.420D-03-0.114D-02
 Coeff:      0.135D-02 0.192D-01 0.112D+00 0.283D+00 0.586D+00
 Gap=     0.265 Goal=   None    Shift=    0.000
 RMSDP=3.87D-09 MaxDP=3.90D-07 DE=-4.87D-11 OVMax= 6.69D-08

 Error on total polarization charges =  0.01518
 SCF Done:  E(RB3LYP) =  -687.348856873     A.U. after   11 cycles
            NFock= 11  Conv=0.39D-08     -V/T= 2.0058
 KE= 6.833923187583D+02 PE=-3.274680407022D+03 EE= 1.072982439648D+03
 Leave Link  502 at Wed Mar 16 19:17:59 2022, MaxMem=  5368709120 cpu:            1351.4 elap:             169.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.71460710D+02

 Leave Link  801 at Wed Mar 16 19:17:59 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8957952.
 Iteration    1 A*A^-1 deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A*A^-1 deviation from orthogonality  is 1.94D-15 for   1696    240.
 Iteration    1 A^-1*A deviation from unit magnitude is 4.77D-15 for   1060.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.69D-15 for   1357    761.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.99D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.70D-01 6.02D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 4.75D-02 3.04D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 3.63D-03 8.22D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 5.80D-04 2.95D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 3.80D-05 9.31D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 8.61D-07 1.01D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 2.81D-08 1.80D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 6.47D-10 2.94D-06.
      8 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 6.60D-12 2.42D-07.
      2 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 7.75D-14 2.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.124687D+03
      2  0.168938D+01  0.117259D+03
      3 -0.148603D+01 -0.251603D+00  0.101563D+03
 Isotropic polarizability for W=    0.088559      114.50 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.218385D+02 -0.151401D+02  0.115169D+02
      2  -0.249019D+02  0.140160D+02  0.977391D+01
      3   0.306336D+01  0.112401D+01 -0.212908D+02
      4  -0.130202D+02 -0.947822D+01 -0.108862D+02
      5  -0.107308D+02 -0.983635D+01  0.320864D+02
      6  -0.839739D+01 -0.106181D+02 -0.351156D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.180681D+01 -0.961384D+01 -0.142367D+01
      2   0.126160D+02 -0.321901D+01  0.155399D+02
      3   0.158277D+01 -0.912932D+01  0.143246D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.104989D+01 -0.203920D+02  0.463558D+01
      2   0.222477D+02 -0.248884D+01  0.290230D+02
      3   0.211981D+01 -0.154236D+02  0.143895D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.630802D+00 -0.518575D+00  0.804647D+00
      2  -0.518575D+00  0.997428D+00  0.972684D-01
      3   0.804647D+00  0.972684D-01 -0.346358D+00
 OR G Eigenvalues:    -1.3955     0.2525     1.1633  Iso=    -0.0068
 Eigenvectors:
   (1)   0.770135   0.191627  -0.608417
   (2)   0.550931   0.280923   0.785848
   (3)  -0.321508   0.940405  -0.110775
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0068 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       -1.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 2.19D+02
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     192
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.10D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 6.85D-02 1.96D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.14D-03 4.44D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.10D-05 3.74D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 3.05D-07 5.02D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.69D-09 4.10D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 8.55D-12 2.51D-07.
     11 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 2.56D-14 1.27D-08.
      1 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 1.37D-15 2.89D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   222 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.27D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 4.27D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.68D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124687D+03  0.168938D+01 -0.148603D+01
      2   0.168938D+01  0.117259D+03 -0.251603D+00
      3  -0.148603D+01 -0.251603D+00  0.101563D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.180681D+01 -0.961384D+01 -0.142367D+01
      2   0.126160D+02 -0.321901D+01  0.155399D+02
      3   0.158277D+01 -0.912932D+01  0.143246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.218385D+02 -0.151401D+02  0.115169D+02
      2  -0.249019D+02  0.140160D+02  0.977391D+01
      3   0.306336D+01  0.112401D+01 -0.212908D+02
      4  -0.130202D+02 -0.947822D+01 -0.108862D+02
      5  -0.107308D+02 -0.983635D+01  0.320864D+02
      6  -0.839739D+01 -0.106181D+02 -0.351156D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438850D+01  0.686270D+00  0.318419D-01 -0.214939D+00  0.378691D+01
      2   0.686270D+00  0.444328D+01  0.224408D+00  0.378691D+01 -0.230959D+01
      3   0.318419D-01  0.224408D+00  0.135459D+01  0.729174D+00 -0.195360D+01
                 6             7             8             9            10 
      1   0.729174D+00 -0.410480D+00  0.505694D+00  0.215693D+01  0.632884D+01
      2  -0.195360D+01  0.505694D+00 -0.355433D+01 -0.225705D+01 -0.121223D+01
      3  -0.320947D+00  0.215693D+01 -0.225705D+01  0.113473D+02  0.191869D+00
                11            12            13            14            15 
      1  -0.121223D+01  0.191869D+00 -0.139120D+01 -0.351618D+01 -0.196287D+00
      2  -0.344537D+01 -0.293702D-01 -0.351618D+01 -0.328273D+00  0.116550D+01
      3  -0.293702D-01 -0.388830D+01 -0.196287D+00  0.116550D+01  0.218503D+01
                16            17            18            19            20 
      1   0.166726D+01 -0.523970D+00 -0.189478D+01  0.370613D+01 -0.751810D+00
      2  -0.523970D+00  0.222075D+01  0.139198D+01 -0.751810D+00 -0.370230D+01
      3  -0.189478D+01  0.139198D+01 -0.108984D+02  0.934441D-01  0.634103D+00
                21            22            23            24            25 
      1   0.934441D-01 -0.122940D+01 -0.521187D+01  0.305018D+00  0.105898D+01
      2   0.634103D+00 -0.521187D+01  0.907229D+00  0.213036D+01  0.813247D+00
      3  -0.115041D+01  0.305018D+00  0.213036D+01  0.241403D+01 -0.215833D+01
                26            27            28            29            30 
      1   0.813247D+00 -0.215833D+01 -0.195422D+01  0.282904D+01 -0.488979D+00
      2   0.312360D+01  0.139865D+01  0.282904D+01  0.350381D+01 -0.379580D+00
      3   0.139865D+01 -0.104771D+02 -0.488979D+00 -0.379580D+00  0.628736D+00
                31            32            33            34            35 
      1   0.306806D+01  0.488329D+01  0.880675D+00 -0.278257D+01  0.503820D+00
      2   0.488329D+01 -0.161360D+01 -0.231252D+01  0.503820D+00 -0.322873D+01
      3   0.880675D+00 -0.231252D+01 -0.236825D+01  0.639747D+00 -0.915013D+00
                36            37            38            39            40 
      1   0.639747D+00  0.680412D+01 -0.225771D+01 -0.491932D+00 -0.403295D+01
      2  -0.915013D+00 -0.225771D+01 -0.198158D-01 -0.400178D+00 -0.134788D+01
      3   0.103913D+02 -0.491932D+00 -0.400178D+00 -0.614416D+00 -0.308901D+00
                41            42            43            44            45 
      1  -0.134788D+01 -0.308901D+00  0.307430D+01  0.724868D+00  0.963348D-01
      2  -0.452851D+01  0.898405D+00  0.724868D+00  0.191521D+01 -0.632859D+00
      3   0.898405D+00  0.123743D+01  0.963348D-01 -0.632859D+00 -0.194473D+01
                46            47            48            49            50 
      1  -0.665594D+01 -0.545227D+00  0.543510D+00  0.161453D+01  0.329736D+01
      2  -0.545227D+00  0.112129D+01  0.763833D+00  0.329736D+01 -0.905853D+00
      3   0.543510D+00  0.763833D+00  0.184824D+01 -0.348597D+00 -0.147049D+01
                51            52            53            54            55 
      1  -0.348597D+00 -0.118149D+01  0.247940D-01  0.247076D+01  0.613125D+01
      2  -0.147049D+01  0.247940D-01 -0.251690D+01 -0.599479D+00 -0.572910D+00
      3  -0.331960D+01  0.247076D+01 -0.599479D+00  0.109402D+02  0.948214D+00
                56            57            58            59            60 
      1  -0.572910D+00  0.948214D+00  0.364791D+00 -0.148254D+01 -0.571385D+00
      2   0.911524D+00  0.133315D+00 -0.148254D+01  0.816564D+01  0.225600D+01
      3   0.133315D+00  0.927694D+00 -0.571385D+00  0.225600D+01 -0.207248D+00
                61            62            63            64            65 
      1   0.218495D+01 -0.123674D+01 -0.105102D+01 -0.137709D+00  0.249208D-01
      2  -0.123674D+01  0.393761D+01  0.245395D+01  0.249208D-01 -0.113201D+01
      3  -0.105102D+01  0.245395D+01  0.421516D+00 -0.130640D+01  0.184784D+00
                66            67            68            69            70 
      1  -0.130640D+01  0.275149D+00 -0.883199D+00  0.147306D+00 -0.244724D+01
      2   0.184784D+00 -0.883199D+00  0.963107D+00 -0.116518D+01  0.368896D+00
      3  -0.111667D+01  0.147306D+00 -0.116518D+01  0.100211D+01 -0.132142D+01
                71            72            73            74            75 
      1   0.368896D+00 -0.132142D+01 -0.813192D+01  0.301104D+01 -0.385313D+00
      2  -0.213460D+01  0.142850D+01  0.301104D+01  0.129615D+01 -0.850953D+00
      3   0.142850D+01 -0.923826D+01 -0.385313D+00 -0.850953D+00  0.175148D+01
                76            77            78            79            80 
      1   0.621654D+01  0.483534D+00 -0.894272D+00 -0.362088D+01 -0.867675D+00
      2   0.483534D+00  0.407502D+01 -0.127851D+01 -0.867675D+00 -0.190837D+01
      3  -0.894272D+00 -0.127851D+01  0.916082D+00 -0.102157D+01  0.384442D+00
                81            82            83            84            85 
      1  -0.102157D+01 -0.221058D+00  0.899256D-01  0.128322D+01 -0.126106D+00
      2   0.384442D+00  0.899256D-01  0.756356D+00 -0.303375D-01  0.703075D+00
      3   0.507551D-01  0.128322D+01 -0.303375D-01  0.104140D+01 -0.524630D-01
                86            87            88            89            90 
      1   0.703075D+00 -0.524630D-01  0.227124D+01  0.126634D+00  0.173723D+00
      2  -0.580274D+00  0.102106D+01  0.126634D+00  0.186242D+01 -0.840364D+00
      3   0.102106D+01 -0.120163D+01  0.173723D+00 -0.840364D+00  0.992662D+01
                91            92            93            94            95 
      1   0.528588D+00 -0.284822D+00  0.132766D+01 -0.172906D-01  0.116448D+01
      2  -0.284822D+00  0.125097D+01 -0.283405D-01  0.116448D+01 -0.449584D+00
      3   0.132766D+01 -0.283405D-01  0.105017D+01  0.321909D-01  0.933973D+00
                96            97            98            99           100 
      1   0.321909D-01  0.257645D+01 -0.267683D+00  0.149294D+01  0.499149D+01
      2   0.933973D+00 -0.267683D+00  0.205644D+01 -0.171012D+00  0.256271D+01
      3  -0.205138D+00  0.149294D+01 -0.171012D+00  0.897064D+01 -0.145658D+01
               101           102           103           104           105 
      1   0.256271D+01 -0.145658D+01  0.967889D+00  0.457305D+01 -0.549554D-01
      2   0.538758D+01 -0.201506D-01  0.457305D+01 -0.920776D+00 -0.210663D+01
      3  -0.201506D-01  0.575788D+00 -0.549554D-01 -0.210663D+01 -0.172595D+01
               106           107           108           109           110 
      1  -0.218658D+01 -0.794843D+00  0.173682D+01  0.297062D+01 -0.300143D+01
      2  -0.794843D+00 -0.425761D+01  0.975855D+00 -0.300143D+01 -0.289003D+01
      3   0.173682D+01  0.975855D+00 -0.488062D+00  0.169874D+01  0.106452D+00
               111           112           113           114           115 
      1   0.169874D+01 -0.243797D+01 -0.551292D+01 -0.429351D+00  0.310434D+01
      2   0.106452D+00 -0.551292D+01  0.220125D+01  0.525529D+01 -0.663604D+00
      3  -0.689584D+00 -0.429351D+00  0.525529D+01  0.230228D+01 -0.466548D+01
               116           117           118           119           120 
      1  -0.663604D+00 -0.466548D+01  0.360030D+00 -0.248009D+00 -0.160466D+01
      2   0.527896D+01  0.318698D+01 -0.248009D+00 -0.576705D+00  0.911791D-01
      3   0.318698D+01 -0.925912D+00 -0.160466D+01  0.911791D-01 -0.413876D+00
               121           122           123           124           125 
      1  -0.226759D+00 -0.547122D+00 -0.265788D+00 -0.233710D+01 -0.337456D+00
      2  -0.547122D+00  0.678673D+00 -0.118614D+01 -0.337456D+00 -0.162344D+01
      3  -0.265788D+00 -0.118614D+01  0.647933D+00  0.554100D+00  0.501871D+00
               126           127           128           129           130 
      1   0.554100D+00 -0.289963D+01 -0.239011D+01  0.946253D+00 -0.164351D+01
      2   0.501871D+00 -0.239011D+01 -0.255387D+01  0.314928D-01 -0.230238D+01
      3  -0.107937D+02  0.946253D+00  0.314928D-01 -0.154223D+00  0.200630D+00
               131           132           133           134           135 
      1  -0.230238D+01  0.200630D+00  0.241791D+01  0.939795D+00 -0.127233D+01
      2   0.174892D+01  0.316298D+01  0.939795D+00  0.686811D+01  0.648669D-01
      3   0.316298D+01  0.223896D+01 -0.127233D+01  0.648669D-01  0.121708D+01
               136           137           138           139           140 
      1  -0.419567D+00 -0.113112D+00 -0.160859D+01 -0.870684D-01 -0.749634D+00
      2  -0.113112D+00 -0.425967D+00 -0.376130D+00 -0.749634D+00  0.537368D-02
      3  -0.160859D+01 -0.376130D+00 -0.112614D+01  0.111338D+00 -0.100026D+01
               141           142           143           144           145 
      1   0.111338D+00 -0.293534D+01 -0.606373D+00 -0.191073D+01 -0.849681D+01
      2  -0.100026D+01 -0.606373D+00 -0.169428D+01 -0.639364D+00  0.354272D+01
      3   0.557122D+00 -0.191073D+01 -0.639364D+00 -0.981095D+01  0.310992D+00
               146           147           148           149           150 
      1   0.354272D+01  0.310992D+00  0.232061D+01 -0.163699D+01 -0.154925D+00
      2  -0.393437D+01 -0.502714D+00 -0.163699D+01  0.180843D+01  0.315622D-01
      3  -0.502714D+00 -0.163003D+01 -0.154925D+00  0.315622D-01  0.747475D+00
               151           152           153           154           155 
      1  -0.827807D+00  0.272224D+00 -0.528939D+00 -0.591967D+01 -0.266728D+01
      2   0.272224D+00 -0.417262D+00  0.451677D+00 -0.266728D+01 -0.260511D+01
      3  -0.528939D+00  0.451677D+00  0.367282D+00  0.838382D+00  0.604768D+00
               156           157           158           159           160 
      1   0.838382D+00 -0.527266D+01 -0.276466D+01  0.825731D+00  0.222237D+01
      2   0.604768D+00 -0.276466D+01 -0.363537D+01  0.854120D+00  0.114966D+01
      3  -0.148788D+01  0.825731D+00  0.854120D+00 -0.123887D+01 -0.114418D+01
               161           162           163           164           165 
      1   0.114966D+01 -0.114418D+01 -0.996738D+00  0.660769D+00  0.428565D+00
      2   0.137318D+01 -0.587115D+00  0.660769D+00 -0.235200D+01 -0.209118D+00
      3  -0.587115D+00  0.655969D+00  0.428565D+00 -0.209118D+00 -0.342050D+00
               166           167           168           169           170 
      1   0.208870D+01 -0.545977D-01 -0.274159D+00  0.806046D+00 -0.117436D+00
      2  -0.545977D-01  0.930689D+01  0.772354D+00 -0.117436D+00  0.220042D+01
      3  -0.274159D+00  0.772354D+00  0.181091D+01 -0.896887D-01  0.910553D+00
               171           172           173           174           175 
      1  -0.896887D-01  0.437635D+01  0.102706D+01  0.186842D+01  0.226710D+01
      2   0.910553D+00  0.102706D+01  0.235408D+01 -0.131089D+01  0.236402D+01
      3   0.242267D+00  0.186842D+01 -0.131089D+01  0.262851D+01 -0.673945D+00
               176           177           178           179           180 
      1   0.236402D+01 -0.673945D+00  0.154978D+01 -0.890610D+00  0.448665D+01
      2   0.192595D+01 -0.131886D+00 -0.890610D+00 -0.119684D+01 -0.995572D+00
      3  -0.131886D+00  0.188894D+01  0.448665D+01 -0.995572D+00  0.375620D+01
               181           182           183           184           185 
      1   0.507115D+01  0.279198D+01 -0.155321D+01  0.470313D+01  0.286873D+01
      2   0.279198D+01  0.232482D+01 -0.617229D+00  0.286873D+01  0.391520D+01
      3  -0.155321D+01 -0.617229D+00  0.141974D+01 -0.943171D+00 -0.184954D+01
               186           187           188           189           190 
      1  -0.943171D+00 -0.198958D+01 -0.649405D+00  0.176172D+01  0.184396D+01
      2  -0.184954D+01 -0.649405D+00 -0.149749D+01  0.984618D+00 -0.151373D+01
      3   0.155415D+01  0.176172D+01  0.984618D+00 -0.112105D+01 -0.164607D+01
               191           192           193           194           195 
      1  -0.151373D+01 -0.164607D+01 -0.318987D+01  0.371451D+01  0.157557D+01
      2   0.166840D+01  0.696837D+00  0.371451D+01 -0.675939D+01 -0.369568D+01
      3   0.696837D+00  0.105426D+01  0.157557D+01 -0.369568D+01 -0.383735D+01
               196           197           198           199           200 
      1  -0.245654D+01  0.150790D+01  0.207495D+01 -0.343325D+00 -0.627000D+00
      2   0.150790D+01 -0.325110D+01 -0.298948D+01 -0.627000D+00  0.570398D+00
      3   0.207495D+01 -0.298948D+01 -0.381906D+01 -0.256345D+00  0.210692D+00
               201           202           203           204           205 
      1  -0.256345D+00 -0.150380D+01 -0.874339D+00 -0.565508D-01 -0.897734D+00
      2   0.210692D+00 -0.874339D+00 -0.103231D+02 -0.222653D+01 -0.383870D+00
      3   0.154473D+00 -0.565508D-01 -0.222653D+01 -0.233172D+01 -0.152960D+00
               206           207           208           209           210 
      1  -0.383870D+00 -0.152960D+00 -0.254743D+01 -0.104106D+01  0.286985D+00
      2  -0.557992D+01 -0.233056D+01 -0.104106D+01 -0.195111D+01  0.107313D+01
      3  -0.233056D+01 -0.149504D+01  0.286985D+00  0.107313D+01 -0.182152D+01
               211           212           213           214           215 
      1  -0.251298D+01 -0.954658D+00  0.417118D+00  0.113969D+01  0.402124D+00
      2  -0.954658D+00 -0.334738D+01  0.189536D+01  0.402124D+00  0.202419D+01
      3   0.417118D+00  0.189536D+01 -0.274574D+01 -0.433240D+00 -0.117608D+01
               216 
      1  -0.433240D+00
      2  -0.117608D+01
      3   0.272513D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107562D+00  0.199913D+00 -0.298588D+01 -0.131470D+01  0.989716D+00
      2  -0.391643D-01 -0.402036D+00 -0.723475D+00  0.685404D+00  0.243476D+01
      3  -0.238136D+01  0.244431D+00 -0.232156D+00  0.487740D+01  0.179945D+01
                 6             7             8             9            10 
      1   0.242600D+01 -0.182324D+01  0.511484D+01 -0.934492D+01 -0.487555D+00
      2   0.141015D+01 -0.431960D+01  0.926125D+00 -0.682694D+01 -0.204289D+01
      3  -0.463099D+00  0.125744D+00 -0.260549D+01  0.515669D+00 -0.291642D+01
                11            12            13            14            15 
      1  -0.196539D+01 -0.811077D+00  0.339635D+00  0.499200D+00 -0.183572D+01
      2  -0.119130D+01  0.298174D+01 -0.407027D+00 -0.181784D+01 -0.347498D+01
      3  -0.593281D+01  0.149368D+00 -0.283177D+00  0.427811D+00  0.210559D+01
                16            17            18            19            20 
      1  -0.125695D+01  0.425378D+01 -0.164808D+01  0.198932D+00 -0.315017D+00
      2  -0.701137D+00 -0.199350D+01  0.144620D+02 -0.388789D+00  0.123607D+01
      3  -0.881681D+00  0.296794D+01  0.253413D+01  0.312914D+01 -0.106500D+01
                21            22            23            24            25 
      1   0.340063D+01 -0.148375D+00 -0.232008D+01 -0.201228D+01  0.299974D+01
      2   0.597956D+00 -0.151981D+01  0.942709D+00 -0.745422D+00 -0.451107D+01
      3  -0.686858D+00  0.482248D+01 -0.576387D+01 -0.297833D+01  0.244440D+00
                26            27            28            29            30 
      1   0.144173D+01  0.808089D+01 -0.250174D+01 -0.856107D+00  0.156488D+01
      2   0.478888D+00 -0.446301D+01 -0.742575D+01  0.358898D+01 -0.103969D+01
      3  -0.116319D+01 -0.325718D+01 -0.802861D+01 -0.980133D+01 -0.206291D+00
                31            32            33            34            35 
      1  -0.775836D+00  0.619309D+00  0.303706D+01  0.433840D+00  0.438229D+01
      2   0.205096D+01 -0.159336D+01 -0.476349D+01 -0.433687D+01  0.226080D+00
      3  -0.767602D+01  0.233597D+01  0.407210D+01  0.860054D+00  0.362508D+01
                36            37            38            39            40 
      1  -0.246014D+00  0.163776D+01 -0.123843D+00 -0.227321D+01  0.154509D+01
      2   0.150432D+02  0.398802D+01 -0.685226D+00  0.120580D+02 -0.186489D+01
      3   0.206105D+01 -0.897511D+01 -0.535142D+01  0.720552D-01  0.176583D+02
                41            42            43            44            45 
      1   0.260697D+01 -0.713720D+01  0.204747D+01  0.301303D+01  0.695224D+00
      2  -0.116935D+01  0.222832D+01 -0.632856D+01 -0.140406D+01 -0.292680D+00
      3   0.550114D+01 -0.462996D+00 -0.364606D+01 -0.164064D+01 -0.261109D+00
                46            47            48            49            50 
      1   0.749107D+00 -0.622818D+00  0.281360D+01 -0.944859D+00 -0.395866D+01
      2  -0.354453D+01 -0.137839D+01 -0.836930D+01  0.141443D+00  0.312534D+01
      3   0.772478D+01  0.593678D+01 -0.209342D+00  0.180503D+01 -0.906788D+00
                51            52            53            54            55 
      1  -0.332406D+00  0.671180D+00  0.140256D+01  0.106102D+02 -0.271461D+01
      2   0.209716D+01 -0.695342D+01 -0.104754D+01 -0.118756D+02 -0.668671D+01
      3  -0.250906D+01  0.109345D+01 -0.189047D+01 -0.361779D+01  0.181705D+02
                56            57            58            59            60 
      1   0.924751D+00 -0.835324D+00  0.237020D+01 -0.315592D+01 -0.751491D+01
      2   0.353094D+01  0.198122D+01  0.133858D+01 -0.330182D+01 -0.156245D+01
      3  -0.487973D+01  0.632477D+00  0.531562D+01  0.774620D+01  0.942548D+00
                61            62            63            64            65 
      1   0.763324D+00  0.111406D+01 -0.362160D+01  0.129431D+01  0.402349D+00
      2  -0.435252D+01 -0.167719D+01 -0.172084D+01  0.984995D+00 -0.490361D+00
      3   0.499600D+01  0.313329D+01  0.986559D+00 -0.216753D+00 -0.202054D+01
                66            67            68            69            70 
      1   0.969886D+00  0.123569D+00  0.128358D+01 -0.173702D+01  0.110635D+01
      2   0.223991D+01 -0.147362D-01  0.419728D+00 -0.345454D+00 -0.351857D+01
      3  -0.114862D+01  0.903221D+00 -0.220159D+00 -0.851632D+00 -0.301982D+01
                71            72            73            74            75 
      1   0.352308D+01  0.106767D+02  0.539004D+00 -0.987852D-01  0.869470D+00
      2  -0.671301D+00  0.754517D+01  0.536923D+01  0.307927D+01  0.486838D+01
      3  -0.177670D+01 -0.149751D+00  0.114619D+02 -0.302090D+01 -0.301859D+01
                76            77            78            79            80 
      1  -0.158263D+01  0.108098D+01 -0.237467D+01  0.105122D+01  0.323028D+01
      2   0.271447D+01  0.368098D+01 -0.426639D+01 -0.273491D+01 -0.184576D+01
      3   0.846724D+01  0.174449D+02 -0.338977D+01 -0.272235D+01 -0.695568D+01
                81            82            83            84            85 
      1  -0.280259D-01  0.272737D+00  0.935768D+00  0.268003D+00  0.480728D+00
      2   0.256824D+01 -0.280273D+01  0.107891D+00 -0.109088D+01  0.623149D+00
      3   0.143200D+01  0.211006D+00 -0.947730D-01 -0.230246D+00  0.200971D+01
                86            87            88            89            90 
      1  -0.324957D+00 -0.169094D+01  0.225050D+00  0.414818D+01  0.115608D+01
      2  -0.172117D+01  0.164530D+01 -0.535123D+01  0.104114D+01 -0.143682D+02
      3  -0.702955D+00  0.150712D+01 -0.413839D+00  0.252937D+01 -0.619461D+00
                91            92            93            94            95 
      1  -0.198996D+01  0.944309D+00 -0.135384D+01  0.444874D+00 -0.142389D+01
      2   0.986556D-01  0.542978D+00  0.899750D+00  0.106040D+01  0.317167D-01
      3   0.126899D+01 -0.235114D+01  0.149297D+01  0.263571D+00  0.104214D+01
                96            97            98            99           100 
      1  -0.294288D+00 -0.215425D+01  0.459548D+01 -0.915058D+01  0.240400D+01
      2   0.219701D+00 -0.412547D+01  0.300493D+00  0.499452D+01 -0.207028D+00
      3  -0.645917D+00  0.270020D+01 -0.214928D+01  0.160300D+01  0.936735D+01
               101           102           103           104           105 
      1  -0.237248D+01 -0.440036D+01 -0.107311D+01  0.774895D+01 -0.184425D+01
      2  -0.433343D+00  0.556704D+01  0.131117D+01 -0.119383D+01  0.143271D+01
      3  -0.113675D+02 -0.249861D+01 -0.574212D+00  0.112304D+02  0.346118D+01
               106           107           108           109           110 
      1  -0.285160D+01  0.522048D+01  0.346127D+01  0.386441D+01  0.135791D+01
      2  -0.191820D+01  0.996942D+00 -0.171592D+01  0.101850D+02 -0.306418D+01
      3  -0.554080D+01  0.547138D+01  0.197360D+01  0.803979D+01  0.924223D+01
               111           112           113           114           115 
      1  -0.155985D+01  0.212677D+01  0.201714D+01 -0.406184D+01 -0.223186D+01
      2   0.271290D+00 -0.367892D+01  0.114078D+02  0.709241D+01 -0.103234D+02
      3  -0.136345D+01  0.210556D+02 -0.249335D+01 -0.131160D+02 -0.318134D+00
               116           117           118           119           120 
      1  -0.371647D+01 -0.303356D+01  0.543646D-02  0.126212D+01  0.367114D+00
      2   0.756580D+01 -0.621712D+01 -0.289236D+01 -0.313363D+00 -0.421827D+00
      3  -0.123659D+02 -0.564953D+01  0.374293D+00  0.124925D+00  0.291469D+00
               121           122           123           124           125 
      1   0.291546D+00 -0.149528D+01 -0.267479D+00  0.201116D+00  0.530675D+01
      2  -0.760658D-01 -0.235925D+01  0.103181D+01 -0.647446D+01  0.506206D+00
      3   0.273355D+01 -0.168786D+01  0.183627D+01  0.649185D+00  0.255563D+01
               126           127           128           129           130 
      1  -0.169973D+01  0.137890D+01  0.602754D+00 -0.298741D+01  0.176063D+01
      2  -0.147875D+02 -0.260728D+01 -0.610829D+00  0.529754D+01  0.248683D+00
      3  -0.198985D+01  0.466162D+01 -0.617908D+01 -0.199875D+01  0.602011D+01
               131           132           133           134           135 
      1   0.133844D+02 -0.186750D+01 -0.118711D+01  0.753472D+01  0.715408D+01
      2  -0.562337D+01 -0.135628D+00 -0.101739D+01 -0.637260D+00 -0.358691D+01
      3   0.724861D+01  0.486513D+01 -0.602801D+01  0.100730D+02  0.326181D+01
               136           137           138           139           140 
      1  -0.200986D+01  0.987682D-01 -0.108244D+01  0.750318D+00 -0.140795D+01
      2   0.142713D+01  0.516151D+00  0.198828D+01  0.682006D+00  0.711550D+00
      3   0.845057D+00 -0.197349D+01  0.194496D+01  0.138795D+00  0.163565D+01
               141           142           143           144           145 
      1   0.367755D+00 -0.105959D+01  0.531446D+01 -0.105805D+02  0.123454D+01
      2  -0.126533D+01 -0.367329D+01  0.580195D-01  0.112167D+02  0.549783D+01
      3  -0.113420D+01  0.373215D+01 -0.188777D+01  0.274565D+01 -0.200123D+02
               146           147           148           149           150 
      1  -0.872378D+00  0.381987D+01 -0.214687D+00  0.526501D+00 -0.143390D+01
      2  -0.186299D+01  0.350368D+01 -0.132938D+01  0.849471D+00 -0.121919D+01
      3   0.107563D+01  0.249532D-01  0.363292D+01 -0.233262D+01 -0.599489D+00
               151           152           153           154           155 
      1   0.139148D+01 -0.457271D+00 -0.454138D+00  0.127758D+00  0.957421D-01
      2   0.877151D+00 -0.908424D+00 -0.772368D-01 -0.286668D+01 -0.212106D+01
      3  -0.235459D+01 -0.217044D+00 -0.628162D+00 -0.862783D+01 -0.940619D+01
               156           157           158           159           160 
      1  -0.869269D+00  0.532528D+00 -0.848693D+00 -0.102136D+01 -0.307870D+00
      2   0.484447D+01 -0.301664D+01 -0.309246D+01  0.466353D+01  0.268064D+01
      3   0.215739D+01 -0.810821D+01 -0.149946D+02  0.291569D+01  0.370952D+01
               161           162           163           164           165 
      1   0.748419D+00  0.401721D+00 -0.189732D+01  0.242278D+01  0.184599D+01
      2   0.201429D+01 -0.190953D+01  0.256298D+00 -0.735061D-01 -0.667026D+00
      3   0.500195D+01 -0.185578D+01 -0.614349D+01  0.601197D+01  0.212371D+01
               166           167           168           169           170 
      1   0.141069D+01 -0.736522D+01 -0.607006D+01  0.677163D+00 -0.286714D+01
      2  -0.448457D-01  0.620506D+00  0.149052D+01 -0.103522D+01  0.960054D+00
      3   0.777195D+01 -0.159813D+02 -0.246588D+01  0.346239D+01 -0.428397D+01
               171           172           173           174           175 
      1  -0.148840D+01  0.270836D+01  0.325988D+01  0.215602D+01  0.103606D+01
      2   0.433930D+00 -0.302894D-01 -0.656297D+01  0.145428D+02 -0.517541D+01
      3  -0.183069D+01 -0.885009D+01 -0.114785D+02  0.310683D+01 -0.711899D+01
               176           177           178           179           180 
      1   0.382542D+01 -0.428704D+01  0.867503D+00  0.541308D+01  0.574869D+01
      2  -0.279948D+01  0.539528D+01  0.600771D+01  0.935278D-01  0.136752D+02
      3  -0.663484D+01  0.106032D+01  0.223616D+01  0.207184D+01 -0.906169D+00
               181           182           183           184           185 
      1  -0.269138D+01 -0.210956D+01 -0.252529D+00 -0.232036D+01 -0.396278D+01
      2  -0.115097D+01 -0.254754D+00  0.488244D+01  0.916643D+00 -0.369139D+01
      3  -0.944439D+01 -0.983362D+01  0.268320D+01 -0.844350D+01 -0.152347D+02
               186           187           188           189           190 
      1   0.281666D+00  0.775401D+00  0.297242D+01 -0.878446D+00  0.867007D-01
      2   0.516011D+01  0.229576D+01  0.250078D+01 -0.197286D+01 -0.320875D+01
      3   0.586331D+01  0.237069D+01  0.510613D+01 -0.361991D+01  0.243386D+01
               191           192           193           194           195 
      1  -0.118072D+01  0.998186D+00 -0.156786D+01  0.362372D+01 -0.307081D+01
      2   0.122762D+01  0.290713D+01  0.739391D+00 -0.753874D+01 -0.108803D+02
      3  -0.511252D+01 -0.951952D+00 -0.463383D+01  0.163791D+02  0.874993D+01
               196           197           198           199           200 
      1   0.506648D+00  0.175569D+01 -0.157153D+01 -0.163663D+00  0.100739D+01
      2   0.181646D+01 -0.718131D+01 -0.943290D+01  0.807543D+00 -0.490178D-01
      3  -0.135572D+01  0.799725D+01  0.673902D+01 -0.100732D+01  0.175242D+01
               201           202           203           204           205 
      1   0.917775D+00 -0.404548D+00 -0.870147D+01 -0.756679D+01 -0.391783D+00
      2   0.133254D-01 -0.501584D+00  0.350621D+01  0.329392D+01 -0.651427D+00
      3   0.100631D+01  0.395090D+01 -0.147144D+02 -0.384768D+01  0.239943D+01
               206           207           208           209           210 
      1  -0.719788D+01 -0.493747D+01 -0.215343D+01 -0.299734D+01 -0.580227D+00
      2   0.354312D+01  0.218782D+01  0.653671D+01  0.553678D+01 -0.635124D+01
      3  -0.812080D+01 -0.363242D+01  0.806951D+01  0.685016D+01 -0.301728D+01
               211           212           213           214           215 
      1  -0.212320D+01 -0.311437D+01 -0.473562D+00  0.392637D+00  0.238341D+01
      2   0.511700D+01  0.817125D+01 -0.850225D+01 -0.369345D+01 -0.468822D+01
      3   0.775396D+01  0.971908D+01 -0.565869D+01 -0.229841D+01 -0.547598D+01
               216 
      1   0.574528D+00
      2   0.786386D+01
      3   0.416531D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.755818D+01 -0.803703D+01 -0.102389D+01 -0.544950D+01  0.952791D+01
      2  -0.276099D+01  0.123142D+02  0.168211D+00  0.835351D+01 -0.204279D+02
      3  -0.479719D+01 -0.427716D+01  0.855682D+00 -0.290401D+01  0.109000D+02
      4  -0.138232D+01 -0.749309D+01 -0.264900D+00 -0.124369D+02  0.107964D+02
      5   0.210248D+01 -0.207448D+01 -0.530718D+01 -0.493887D+01  0.173875D+01
      6   0.144093D+01  0.318735D+01  0.739169D+01  0.356681D+01 -0.954389D+01
                 6             7             8             9            10 
      1   0.443286D+01  0.163779D+01  0.539379D+01  0.901172D+01 -0.358291D+02
      2  -0.199355D+01  0.332011D+01 -0.147380D+02  0.449407D+01  0.194682D+02
      3  -0.243931D+01 -0.495790D+01  0.934418D+01 -0.135058D+02  0.163609D+02
      4   0.285898D+01 -0.214608D+01  0.680119D+01  0.824522D+01  0.578524D+01
      5   0.410288D+01 -0.433719D+01  0.501720D+01 -0.215601D+02 -0.226650D+01
      6  -0.121590D+02  0.667765D+01 -0.786113D+01  0.268294D+02 -0.691466D+00
                11            12            13            14            15 
      1  -0.309840D+00  0.297030D+01  0.363367D+01  0.968475D+01 -0.328686D+00
      2   0.347579D+01  0.271839D+01 -0.199857D+01 -0.266275D+01 -0.872886D+00
      3  -0.316595D+01 -0.568869D+01 -0.163510D+01 -0.702200D+01  0.120157D+01
      4  -0.790191D+00 -0.242761D+00  0.895003D+01  0.271004D+00 -0.258648D+01
      5  -0.819637D+00 -0.799679D+00  0.112297D+01 -0.147318D+01 -0.650346D+01
      6  -0.166638D-01  0.238929D+01 -0.127821D+01  0.566107D-01 -0.512336D+00
                16            17            18            19            20 
      1  -0.632438D+01  0.193457D+01  0.180147D+02 -0.432558D+01  0.595764D+01
      2   0.386789D+01 -0.552362D+01  0.564332D+01  0.104181D+01 -0.121581D+02
      3   0.245649D+01  0.358906D+01 -0.236580D+02  0.328378D+01  0.620044D+01
      4   0.310563D+01 -0.354966D+01 -0.382360D+01 -0.380448D+01 -0.106885D+02
      5   0.649028D+01 -0.410524D+01  0.313015D+02  0.112863D+01  0.416571D+01
      6   0.685578D+00  0.150395D+00  0.660145D+01  0.319550D-01  0.420641D+01
                21            22            23            24            25 
      1  -0.240681D+01  0.201785D+01 -0.309904D+01 -0.480826D+01  0.285933D+01
      2   0.152664D+00 -0.834911D+01 -0.163184D+01  0.291443D+01  0.425834D+01
      3   0.225414D+01  0.633126D+01  0.473088D+01  0.189383D+01 -0.711767D+01
      4   0.163089D+01 -0.167989D+02 -0.879437D+01  0.216640D+01  0.490389D+01
      5  -0.650963D+01  0.245189D+01  0.470426D+01 -0.804350D+00 -0.317811D+01
      6  -0.819604D+01  0.339129D+01  0.627754D+01 -0.397482D+01 -0.481489D+01
                26            27            28            29            30 
      1  -0.122662D+01  0.375449D+00 -0.196855D+02  0.101103D+02 -0.758754D+00
      2   0.620143D+01  0.951335D+01  0.100608D+02 -0.112388D+02  0.122210D+01
      3  -0.497481D+01 -0.988880D+01  0.962473D+01  0.112852D+01 -0.463341D+00
      4   0.804565D+01 -0.184361D+01 -0.186917D+01 -0.277341D+01 -0.106003D+01
      5   0.796798D+00 -0.141798D+02 -0.119934D+01 -0.204787D+01 -0.391962D+01
      6   0.988522D+00 -0.208331D+02 -0.541549D+00 -0.197257D+01 -0.179408D+01
                31            32            33            34            35 
      1   0.445810D+01  0.156233D+02 -0.505679D+01 -0.534800D+01 -0.104981D+01
      2  -0.347450D+01 -0.159189D+02 -0.404583D+01  0.199565D+01 -0.983928D+00
      3  -0.983598D+00  0.295610D+00  0.910262D+01  0.335235D+01  0.203374D+01
      4  -0.473901D+01 -0.110612D+02 -0.660366D+01  0.489409D+01 -0.337784D+01
      5   0.126362D+01 -0.952779D+01 -0.101044D+02  0.866556D+00 -0.300782D+01
      6  -0.492489D+01  0.449090D+01 -0.378091D+01 -0.205240D+01  0.892546D+00
                36            37            38            39            40 
      1   0.240049D+02  0.182315D+02 -0.206074D+01  0.197131D+01 -0.521539D+00
      2   0.169305D+02 -0.115828D+02  0.152896D+01 -0.116721D+01  0.170098D+01
      3  -0.409353D+02 -0.664875D+01  0.531782D+00 -0.804101D+00 -0.117944D+01
      4  -0.367491D+01 -0.948025D+01  0.191208D+02  0.308915D+00  0.177796D+02
      5   0.255795D+02  0.203990D+01  0.738273D+00  0.235435D+02 -0.188577D+01
      6   0.321479D+00  0.168593D+01  0.302322D+00  0.666317D+01  0.120662D+01
                41            42            43            44            45 
      1  -0.171141D+02  0.454791D+01  0.399585D+01  0.311645D+01 -0.830399D+01
      2   0.244358D+02  0.193366D+01 -0.502772D+01 -0.368847D+01 -0.555297D+01
      3  -0.732168D+01 -0.648157D+01  0.103187D+01  0.572020D+00  0.138570D+02
      4   0.351673D+00  0.872714D+00 -0.687351D+01 -0.862628D+00 -0.188285D+01
      5   0.212833D+01  0.376053D+01  0.730027D+01 -0.151739D+01  0.122665D+01
      6  -0.118489D+01  0.938991D+01 -0.124619D+01  0.736400D+01  0.407590D+00
                46            47            48            49            50 
      1  -0.162214D+02  0.496525D+01  0.241513D+01 -0.508968D+01 -0.128305D+01
      2   0.135392D+02 -0.717446D+01  0.126206D+01 -0.451808D+01 -0.782550D+01
      3   0.268225D+01  0.220921D+01 -0.367719D+01  0.960776D+01  0.910855D+01
      4   0.680442D+01 -0.206342D+02 -0.258444D+01 -0.208982D+02 -0.113221D+02
      5   0.155179D+01 -0.307677D+00 -0.229595D+02  0.279770D+01  0.250436D+01
      6  -0.124982D+01  0.211261D+01 -0.105452D+02  0.603390D+00  0.692269D+01
                51            52            53            54            55 
      1  -0.468181D+01  0.553436D+01 -0.453902D+01  0.812047D+01 -0.137685D+02
      2  -0.434648D+00  0.384651D+01  0.824659D+01  0.194963D+02  0.300304D+01
      3   0.511646D+01 -0.938087D+01 -0.370757D+01 -0.276168D+02  0.107655D+02
      4   0.339339D+01  0.217158D+01  0.597502D+01 -0.174258D+01  0.268197D+02
      5   0.325775D+01 -0.906800D+01 -0.278250D+00 -0.275846D+02 -0.746940D+00
      6  -0.537886D+01 -0.492401D+01 -0.337634D+00 -0.253983D+02  0.452926D+01
                56            57            58            59            60 
      1   0.452337D+01 -0.183694D+01  0.519530D+01 -0.309875D+02 -0.901962D+01
      2  -0.132064D+01  0.230162D+01 -0.673575D+01  0.499798D+02  0.652112D+01
      3  -0.320273D+01 -0.464676D+00  0.154044D+01 -0.189923D+02  0.249850D+01
      4   0.477396D+00  0.314621D+01  0.103951D+02 -0.219411D+02 -0.619069D+01
      5   0.179183D+00  0.575989D+01  0.278556D+01 -0.441951D+01 -0.222189D+01
      6  -0.146307D+01  0.524277D+00 -0.356435D+01  0.154930D+02  0.160369D+02
                61            62            63            64            65 
      1  -0.242540D+01 -0.116819D+02 -0.118354D+02  0.128128D+01  0.100534D+01
      2  -0.129628D+01  0.173338D+02  0.248050D+01 -0.367106D+01 -0.187192D+01
      3   0.372169D+01 -0.565194D+01  0.935494D+01  0.238978D+01  0.866584D+00
      4   0.105720D+02 -0.118626D+02 -0.669014D+01 -0.168635D+01  0.438401D+01
      5   0.789051D+01 -0.611683D+01 -0.384316D+01  0.469453D+01 -0.136072D+01
      6  -0.451675D+01  0.192184D+02  0.919165D+01 -0.398689D+01  0.402866D+00
                66            67            68            69            70 
      1   0.202786D+01  0.113054D+01 -0.449995D+01  0.353783D+01  0.169475D+01
      2  -0.299818D+01 -0.185248D+01  0.372813D+01 -0.296812D+01 -0.313545D+01
      3   0.970314D+00  0.721940D+00  0.771820D+00 -0.569710D+00  0.144070D+01
      4  -0.365286D+01  0.376445D+01 -0.325458D+01  0.283439D+01 -0.558213D+01
      5   0.993179D+01 -0.194278D+00  0.270034D+01 -0.183270D+01  0.784451D+01
      6  -0.271217D+01  0.109042D+01 -0.441195D+01  0.948545D+01 -0.435795D+01
                71            72            73            74            75 
      1   0.535326D+01 -0.151009D+02  0.552305D+02 -0.181591D+02  0.354052D+01
      2  -0.425524D+01 -0.135607D+02 -0.332067D+02  0.870229D+01 -0.336162D+01
      3  -0.109802D+01  0.286615D+02 -0.220238D+02  0.945683D+01 -0.178908D+00
      4   0.485179D+01 -0.515701D+01 -0.218806D+02  0.434009D+01  0.435001D+01
      5  -0.330559D+01  0.213163D+02  0.769755D+01  0.558208D+01  0.104697D+02
      6   0.890538D+01 -0.279032D+02  0.754881D+00  0.380006D+00 -0.206663D+01
                76            77            78            79            80 
      1  -0.358451D+02 -0.958534D+01  0.489177D+01  0.208424D+02  0.493411D+01
      2   0.196535D+02  0.919101D+01 -0.249626D+01 -0.117751D+02 -0.226015D+01
      3   0.161916D+02  0.394333D+00 -0.239551D+01 -0.906728D+01 -0.267395D+01
      4  -0.123717D+01 -0.231266D+02  0.747529D+01  0.444374D+01  0.973925D+01
      5   0.612750D+01  0.857084D+01 -0.678249D+01  0.124610D+02 -0.372367D+01
      6   0.200500D+01  0.196113D+01  0.560090D+01 -0.121756D+01  0.370253D+01
                81            82            83            84            85 
      1   0.849114D+00  0.108748D+01  0.239956D-01 -0.626347D+01  0.658134D+00
      2  -0.753656D+01 -0.400194D+01  0.137993D+00  0.735009D+00 -0.373103D+00
      3   0.668745D+01  0.291446D+01 -0.161989D+00  0.552846D+01 -0.285031D+00
      4  -0.352084D+01 -0.400570D+00  0.338405D+00 -0.169946D+00  0.339247D+00
      5   0.391148D+01 -0.219318D+01 -0.296019D+00  0.389942D+01 -0.170774D+00
      6   0.564492D+00 -0.719584D+00  0.569085D+00 -0.651319D+00  0.246367D+00
                86            87            88            89            90 
      1  -0.562457D+01  0.222539D+01 -0.896879D+01  0.192693D+01 -0.217112D+02
      2   0.978442D+00  0.535901D-01  0.394166D+01  0.677942D+00 -0.170991D+02
      3   0.464613D+01 -0.227898D+01  0.502713D+01 -0.260487D+01  0.388103D+02
      4   0.160948D+01 -0.259829D+01 -0.975228D+00 -0.468224D+01  0.204729D+01
      5  -0.295337D+01  0.277715D+01  0.475532D+01  0.268018D+01 -0.270954D+02
      6  -0.188984D+01  0.889307D+01 -0.182528D+00  0.532827D+01 -0.567275D+01
                91            92            93            94            95 
      1   0.277590D+01 -0.252084D+01  0.211052D+01 -0.200792D+01 -0.680580D+00
      2  -0.422705D+01  0.336201D+01 -0.194667D+01  0.254770D+01 -0.120912D+01
      3   0.145115D+01 -0.841162D+00 -0.163852D+00 -0.539779D+00  0.188970D+01
      4   0.291989D+00  0.381144D+01  0.117681D+01  0.424911D+01  0.640426D+00
      5   0.404762D+01 -0.102237D+01  0.739298D+01 -0.400887D+00  0.232100D+01
      6   0.216147D+01 -0.114304D+00  0.228925D+01  0.501158D+00  0.123370D+01
                96            97            98            99           100 
      1  -0.141150D+01  0.209949D+01 -0.329264D+01 -0.114573D+02  0.156649D+02
      2   0.213019D+01 -0.434352D+01  0.563551D+01 -0.162496D+02 -0.350446D+01
      3  -0.718691D+00  0.224402D+01 -0.234287D+01  0.277069D+02 -0.121604D+02
      4   0.267354D+01  0.310480D+01  0.388086D+01  0.113074D+01  0.244220D+02
      5   0.158160D+00  0.730144D+01 -0.631377D+00  0.167356D+02 -0.499588D+01
      6   0.538460D+01  0.276784D+01  0.382448D+01  0.183027D+02 -0.668429D+01
               101           102           103           104           105 
      1  -0.992773D+01 -0.555888D+00 -0.337800D+01  0.101883D+02  0.767138D+01
      2   0.238235D+02  0.338999D+01  0.136774D+02 -0.940562D+01 -0.918468D+01
      3  -0.138958D+02 -0.283411D+01 -0.102994D+02 -0.782654D+00  0.151330D+01
      4   0.272432D+02 -0.459566D+01  0.240083D+02  0.152183D+02 -0.451576D+01
      5  -0.152033D+01  0.118024D+02 -0.133020D+01 -0.843057D+01  0.174049D+01
      6  -0.351114D+01  0.770647D+01 -0.276029D+01 -0.120964D+02  0.904787D+01
               106           107           108           109           110 
      1  -0.319302D+01  0.120776D+02 -0.359876D+01  0.107523D+02 -0.186603D+02
      2   0.879922D+00 -0.187742D+02 -0.372603D+01 -0.763535D+01  0.146356D+02
      3   0.231310D+01  0.669665D+01  0.732479D+01 -0.311698D+01  0.402469D+01
      4  -0.938978D+01 -0.115746D+02  0.725751D+01 -0.155932D+02 -0.168499D+02
      5   0.103572D+02  0.415732D+01 -0.393939D+01  0.780276D+01  0.268998D+01
      6   0.883262D+01  0.117396D+02 -0.813617D+01 -0.601981D+00  0.541833D+01
               111           112           113           114           115 
      1   0.891480D+01 -0.198274D+02 -0.215365D+02  0.637907D+01  0.735526D+01
      2  -0.111564D+01  0.152626D+02  0.603924D+01 -0.109344D+02 -0.236908D+01
      3  -0.779916D+01  0.456485D+01  0.154972D+02  0.455530D+01 -0.498618D+01
      4  -0.667857D-01 -0.298127D+02  0.138166D+02  0.294798D+02  0.387521D+00
      5  -0.109821D+02  0.186398D+01  0.340572D+02  0.161056D+02 -0.383046D+02
      6   0.334295D+01  0.113327D+02 -0.127363D+02 -0.126675D+02  0.103636D+02
               116           117           118           119           120 
      1   0.749670D+01 -0.155567D+02  0.147058D+01 -0.437283D+00 -0.530438D+01
      2  -0.645146D+01  0.875742D+01 -0.497464D+01  0.372252D+00  0.891783D+00
      3  -0.104523D+01  0.679932D+01  0.350406D+01  0.650312D-01  0.441259D+01
      4   0.226729D+02  0.199464D+02 -0.384867D+00  0.176989D+01  0.129500D+01
      5   0.189597D+02 -0.567477D+01 -0.342161D+01  0.865145D-01  0.675125D+01
      6  -0.225237D+02 -0.456401D+01  0.694065D+00  0.936168D+00 -0.260518D+00
               121           122           123           124           125 
      1  -0.160812D+00 -0.633971D+01  0.643622D+00 -0.543816D+01  0.136116D+01
      2  -0.343338D+00  0.130275D+01  0.177087D+01  0.591019D+01  0.112803D+01
      3   0.504150D+00  0.503696D+01 -0.241450D+01 -0.472033D+00 -0.248918D+01
      4   0.172188D+01  0.181295D+01 -0.202582D+01  0.142962D+01 -0.276476D+01
      5  -0.514649D+00 -0.278816D+01  0.273146D+01  0.826018D+01  0.146340D+01
      6   0.403698D+00 -0.284086D+00  0.898002D+01  0.679584D+00  0.637821D+01
               126           127           128           129           130 
      1  -0.270995D+02  0.131762D+02 -0.271337D+01 -0.204325D+01  0.330587D+01
      2  -0.231641D+02  0.576224D+00  0.133542D+02  0.244686D+01  0.659205D+01
      3   0.502636D+02 -0.137524D+02 -0.106408D+02 -0.403617D+00 -0.989791D+01
      4   0.172967D+01  0.187255D+02  0.253669D+02 -0.413610D+01  0.227975D+02
      5  -0.251979D+02 -0.287940D+01 -0.311706D+00  0.946608D+01 -0.186017D+01
      6   0.330372D+01 -0.398891D+01 -0.815521D+00  0.610622D+01 -0.126254D+01
               131           132           133           134           135 
      1   0.842852D+01  0.120098D+02 -0.576779D+01  0.199754D+02  0.128853D+00
      2  -0.626111D+01 -0.166688D+02 -0.139951D+00 -0.352395D+02 -0.936096D+01
      3  -0.216741D+01  0.465900D+01  0.590774D+01  0.152641D+02  0.923211D+01
      4   0.103295D+02 -0.839714D+01 -0.116976D+02 -0.213654D+02  0.284922D+01
      5  -0.962839D+01 -0.459412D+00  0.867924D+01 -0.398615D+00 -0.601073D+01
      6  -0.240184D+02  0.479363D+01  0.556418D+01  0.332832D+01 -0.131532D+02
               136           137           138           139           140 
      1   0.202915D+01 -0.313414D+00  0.242755D+01 -0.138938D+01 -0.269133D+01
      2  -0.538516D+01  0.516985D+00 -0.297528D+01  0.240645D+01 -0.960681D-02
      3   0.335601D+01 -0.203570D+00  0.547730D+00 -0.101707D+01  0.270094D+01
      4   0.164482D+01  0.423224D+01  0.379829D+01  0.422231D+01  0.673898D+00
      5   0.610089D+01  0.984637D+00  0.116945D+02 -0.661493D+00  0.299699D+01
      6   0.394856D+01  0.945744D+00  0.307773D+01  0.853134D+00  0.214008D+01
               141           142           143           144           145 
      1  -0.130520D+01  0.946318D+00 -0.293823D+01 -0.176438D+02  0.235638D+02
      2   0.396928D+01 -0.509576D+01  0.375245D+01 -0.219038D+02 -0.110666D+01
      3  -0.266408D+01  0.414945D+01 -0.814217D+00  0.395477D+02 -0.224571D+02
      4   0.231619D+01  0.653634D+01  0.607549D+01  0.306868D+01 -0.423907D+02
      5  -0.287622D+01  0.119199D+02  0.238528D+01  0.266166D+02 -0.479695D+01
      6   0.602794D+01  0.509981D+01  0.728908D+01  0.248157D+02  0.470665D+00
               146           147           148           149           150 
      1  -0.255036D+01  0.130131D+01 -0.337836D+01  0.108090D+01  0.617603D-01
      2  -0.107723D+02 -0.311602D+00 -0.384297D+01  0.618006D+01 -0.615437D+00
      3   0.133226D+02 -0.989712D+00  0.722133D+01 -0.726095D+01  0.553677D+00
      4   0.246369D+02  0.170603D+01  0.151777D+02 -0.101804D+02 -0.529534D+00
      5   0.249348D+01  0.493692D+01  0.163171D+01 -0.459057D+00 -0.240358D+01
      6  -0.234494D+01 -0.664168D+01 -0.107543D+01  0.678665D+00  0.240174D+01
               151           152           153           154           155 
      1   0.241181D+01 -0.216863D+00  0.831192D+00  0.367564D+02  0.166647D+02
      2  -0.228321D+00 -0.107258D+01  0.217375D-01 -0.189587D+02 -0.844804D+01
      3  -0.218349D+01  0.128944D+01 -0.852929D+00 -0.177977D+02 -0.821669D+01
      4  -0.385250D+01  0.189808D+01 -0.333581D+01  0.167062D+02  0.161453D+02
      5   0.383771D+01 -0.182180D+01 -0.442409D+00 -0.685718D+01 -0.427794D+01
      6  -0.315077D+01  0.299319D+01  0.143225D+01 -0.120668D+01 -0.715270D+00
               156           157           158           159           160 
      1  -0.598130D+01  0.313963D+02  0.151374D+02 -0.498013D+01 -0.117628D+02
      2   0.285203D+01 -0.164558D+02 -0.555976D+01  0.265177D+01  0.702513D+01
      3   0.312928D+01 -0.149405D+02 -0.957766D+01  0.232837D+01  0.473766D+01
      4  -0.366315D+01  0.191041D+02  0.212649D+02 -0.575844D+01 -0.662996D+01
      5   0.870614D+01 -0.681338D+01 -0.629207D+01  0.775590D+01  0.849624D+01
      6   0.109171D+01 -0.167290D+01 -0.165387D+01  0.110770D+01  0.149700D+01
               161           162           163           164           165 
      1  -0.611129D+01  0.598062D+01 -0.278187D+01  0.901869D+01  0.712750D+00
      2   0.343452D+01 -0.373251D+01  0.407360D+01 -0.137483D+02 -0.206269D+01
      3   0.267677D+01 -0.224811D+01 -0.129173D+01  0.472957D+01  0.134994D+01
      4  -0.745555D+01  0.390222D+01 -0.304738D+01 -0.967116D+00  0.141770D+01
      5   0.467778D+01 -0.438512D+01  0.458153D+00 -0.125327D+01 -0.175507D+01
      6   0.214165D+01 -0.158721D+01  0.175447D+01 -0.103694D+00 -0.164591D+01
               166           167           168           169           170 
      1   0.518654D+01 -0.305740D+02 -0.227898D+01  0.153577D+01 -0.750610D+01
      2  -0.422466D+01  0.532282D+02  0.619734D+01 -0.124532D+01  0.123322D+02
      3  -0.961881D+00 -0.226543D+02 -0.391836D+01 -0.290455D+00 -0.482611D+01
      4   0.749194D+01  0.146195D+02  0.969268D+00  0.224819D+01  0.368861D+01
      5  -0.144016D+01  0.357950D+01  0.340014D+01  0.498096D+00  0.231715D+01
      6  -0.906739D+00  0.592546D+00  0.777549D+01 -0.803255D+00  0.567787D+01
               171           172           173           174           175 
      1  -0.372768D+01  0.358774D+02  0.107821D+02  0.326826D+01  0.155597D+02
      2   0.480405D+01 -0.213044D+02 -0.904555D+01 -0.649275D+01 -0.118047D+02
      3  -0.107637D+01 -0.145730D+02 -0.173654D+01  0.322449D+01 -0.375497D+01
      4   0.973546D+00 -0.433155D+01  0.167411D+02 -0.768744D+01  0.156806D+02
      5   0.388741D+00  0.177165D+02 -0.462992D+01  0.232169D+02 -0.229275D+01
      6   0.189560D+01 -0.555638D+00  0.931810D+01 -0.806059D+01  0.619315D+01
               176           177           178           179           180 
      1   0.156848D+02 -0.644888D+01  0.835474D+01 -0.108859D+02  0.104690D+02
      2  -0.578744D+01  0.333176D+01 -0.833229D+01  0.440794D+01 -0.231991D+02
      3  -0.989735D+01  0.311712D+01 -0.224512D-01  0.647799D+01  0.127300D+02
      4   0.307550D+01  0.209100D+01 -0.903712D+01 -0.570274D+00 -0.100178D+02
      5   0.341762D+01  0.547234D+01  0.368381D+02 -0.895597D+01  0.299476D+02
      6   0.478011D+01  0.158514D+01 -0.109196D+02  0.130490D+02 -0.184274D+01
               181           182           183           184           185 
      1   0.371092D+02  0.185401D+02 -0.937362D+01  0.299264D+02  0.153621D+02
      2  -0.207678D+02 -0.103641D+02  0.595969D+01 -0.174284D+02 -0.615029D+01
      3  -0.163414D+02 -0.817592D+01  0.341393D+01 -0.124980D+02 -0.921180D+01
      4   0.163632D+02  0.155561D+02 -0.392066D+01  0.179012D+02  0.222640D+02
      5  -0.141399D+02 -0.662057D+01  0.125524D+02 -0.105171D+02 -0.134573D+02
      6  -0.172408D+01 -0.314723D+01  0.428774D+00 -0.360442D+01 -0.294911D+01
               186           187           188           189           190 
      1  -0.627667D+01 -0.105350D+02 -0.366934D+01  0.769536D+01  0.113541D+02
      2   0.562554D+01  0.755071D+01  0.381913D+01 -0.725218D+01 -0.334004D+01
      3   0.651132D+00  0.298427D+01 -0.149792D+00 -0.443175D+00 -0.801409D+01
      4  -0.108501D+02 -0.406547D+01 -0.842459D+01  0.570470D+01 -0.129564D+02
      5   0.113167D+02  0.152310D+02  0.790440D+01 -0.881186D+01 -0.123395D+02
      6   0.328255D+01  0.901432D+00  0.476768D+01 -0.260183D+01  0.581483D+01
               191           192           193           194           195 
      1  -0.735193D+01 -0.829490D+01 -0.121758D+02  0.262172D+01 -0.143372D+01
      2   0.101997D+01  0.388977D+01  0.134332D+01  0.127406D+02  0.482431D+01
      3   0.633196D+01  0.440513D+01  0.108325D+02 -0.153623D+02 -0.339059D+01
      4   0.156750D+02  0.741845D+01  0.271941D+02 -0.398686D+02 -0.220037D+02
      5   0.687354D+01  0.110598D+02  0.134035D+02 -0.236955D+02 -0.245911D+02
      6  -0.457792D+01 -0.431037D+01 -0.922259D+01  0.196870D+02  0.174250D+02
               196           197           198           199           200 
      1  -0.910620D+01 -0.134540D+01  0.182703D+00 -0.148873D+00  0.522993D+01
      2   0.483841D+01  0.290356D+01 -0.209660D+01  0.229788D+01 -0.595982D+01
      3   0.426779D+01 -0.155816D+01  0.191389D+01 -0.214900D+01  0.729890D+00
      4   0.113888D+02 -0.183816D+02 -0.176291D+02  0.249656D+01  0.476360D+01
      5   0.172549D+02 -0.188208D+02 -0.237407D+02  0.629302D+00  0.305854D+00
      6  -0.740148D+01  0.154402D+02  0.156508D+02  0.193026D+01 -0.208961D+01
               201           202           203           204           205 
      1   0.182199D+01  0.206159D+01 -0.315657D+02 -0.816610D+01  0.133304D+01
      2  -0.174799D+01  0.216538D+01  0.579854D+02  0.140403D+02  0.510590D+00
      3  -0.739956D-01 -0.422696D+01 -0.264198D+02 -0.587423D+01 -0.184363D+01
      4   0.166001D+01  0.944678D+01  0.267284D+02  0.573178D+01  0.468578D+01
      5   0.606047D+00  0.838037D+00  0.811372D+01  0.644657D+01  0.173050D+01
      6  -0.144173D+01  0.111017D+01  0.178566D+02  0.130465D+02  0.118242D+01
               206           207           208           209           210 
      1  -0.172111D+02 -0.856942D+01 -0.149091D+02 -0.115269D+02  0.837951D+01
      2   0.282900D+02  0.123034D+02  0.924263D+01  0.773197D+01 -0.281985D+01
      3  -0.110789D+02 -0.373399D+01  0.566648D+01  0.379496D+01 -0.555966D+01
      4   0.134251D+02  0.581468D+01  0.837688D+00 -0.714686D+01  0.388482D+01
      5   0.757814D+01  0.438746D+01 -0.161973D+01  0.219165D+01 -0.799422D+01
      6   0.170310D+02  0.102999D+02 -0.326639D+01 -0.690705D+01  0.731475D+01
               211           212           213           214           215 
      1  -0.164327D+02 -0.159310D+02  0.996273D+01  0.925929D+01  0.827205D+01
      2   0.995116D+01  0.134057D+02 -0.608510D+01 -0.396562D+01 -0.500823D+01
      3   0.648156D+01  0.252537D+01 -0.387763D+01 -0.529367D+01 -0.326381D+01
      4   0.385547D+00 -0.122340D+02  0.771084D+01  0.377364D+00  0.781771D+01
      5  -0.126603D+01  0.629205D+01 -0.104461D+02  0.156155D+01 -0.356467D+01
      6  -0.371760D+01 -0.116534D+02  0.977169D+01  0.302502D+01  0.777111D+01
               216 
      1  -0.876785D+01
      2   0.228102D+01
      3   0.648683D+01
      4  -0.335174D+01
      5   0.956847D+01
      6  -0.817587D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 19:50:17 2022, MaxMem=  5368709120 cpu:           15455.2 elap:            1937.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17890 -19.17387 -19.16904 -19.16707 -19.16374
 Alpha  occ. eigenvalues --  -19.15899 -10.29762 -10.24862 -10.24708 -10.24685
 Alpha  occ. eigenvalues --  -10.24454 -10.23629  -1.09815  -1.05973  -1.05100
 Alpha  occ. eigenvalues --   -1.03878  -1.03022  -1.02625  -0.80153  -0.78578
 Alpha  occ. eigenvalues --   -0.70507  -0.65954  -0.63417  -0.59964  -0.57692
 Alpha  occ. eigenvalues --   -0.54730  -0.53575  -0.52755  -0.50473  -0.50270
 Alpha  occ. eigenvalues --   -0.48295  -0.46865  -0.44816  -0.43802  -0.42568
 Alpha  occ. eigenvalues --   -0.41776  -0.39413  -0.38583  -0.37485  -0.35989
 Alpha  occ. eigenvalues --   -0.35054  -0.34722  -0.32828  -0.31122  -0.30180
 Alpha  occ. eigenvalues --   -0.29299  -0.28939  -0.27771
 Alpha virt. eigenvalues --   -0.01241  -0.00592  -0.00183  -0.00030   0.01859
 Alpha virt. eigenvalues --    0.02058   0.02569   0.03040   0.03692   0.04488
 Alpha virt. eigenvalues --    0.05645   0.06029   0.06696   0.07342   0.07627
 Alpha virt. eigenvalues --    0.07864   0.08478   0.08676   0.09235   0.09650
 Alpha virt. eigenvalues --    0.09941   0.10373   0.10741   0.10846   0.11264
 Alpha virt. eigenvalues --    0.11903   0.12265   0.12577   0.13072   0.13354
 Alpha virt. eigenvalues --    0.13470   0.14166   0.14725   0.14780   0.15282
 Alpha virt. eigenvalues --    0.15696   0.16160   0.16459   0.17467   0.17751
 Alpha virt. eigenvalues --    0.18520   0.18889   0.19520   0.20124   0.20418
 Alpha virt. eigenvalues --    0.21535   0.21721   0.22013   0.22354   0.23318
 Alpha virt. eigenvalues --    0.23609   0.24016   0.24082   0.24205   0.24383
 Alpha virt. eigenvalues --    0.25176   0.25655   0.26121   0.26365   0.26621
 Alpha virt. eigenvalues --    0.27228   0.27549   0.27874   0.28746   0.29321
 Alpha virt. eigenvalues --    0.29472   0.30030   0.30595   0.30734   0.31651
 Alpha virt. eigenvalues --    0.32116   0.32695   0.33112   0.33638   0.33798
 Alpha virt. eigenvalues --    0.34852   0.35445   0.35978   0.36176   0.36903
 Alpha virt. eigenvalues --    0.37113   0.37438   0.37756   0.39054   0.39997
 Alpha virt. eigenvalues --    0.40265   0.40726   0.41075   0.41655   0.42279
 Alpha virt. eigenvalues --    0.42328   0.43224   0.44225   0.44588   0.45244
 Alpha virt. eigenvalues --    0.46356   0.48152   0.49545   0.49748   0.50767
 Alpha virt. eigenvalues --    0.51128   0.51701   0.52369   0.52689   0.53596
 Alpha virt. eigenvalues --    0.54670   0.55078   0.55313   0.55485   0.56519
 Alpha virt. eigenvalues --    0.57229   0.57870   0.58752   0.59037   0.59485
 Alpha virt. eigenvalues --    0.60806   0.61673   0.62440   0.62702   0.63348
 Alpha virt. eigenvalues --    0.63811   0.64106   0.65258   0.65684   0.66272
 Alpha virt. eigenvalues --    0.67426   0.67729   0.68525   0.69929   0.70349
 Alpha virt. eigenvalues --    0.70856   0.71520   0.72537   0.73198   0.73798
 Alpha virt. eigenvalues --    0.74140   0.76057   0.77167   0.77380   0.78305
 Alpha virt. eigenvalues --    0.78743   0.79704   0.80495   0.80613   0.81847
 Alpha virt. eigenvalues --    0.83347   0.84168   0.84631   0.85948   0.86525
 Alpha virt. eigenvalues --    0.87269   0.88214   0.88780   0.91174   0.91927
 Alpha virt. eigenvalues --    0.92624   0.93174   0.94964   0.95863   0.97254
 Alpha virt. eigenvalues --    0.99077   1.00070   1.00628   1.01830   1.03068
 Alpha virt. eigenvalues --    1.04136   1.05058   1.06091   1.06437   1.07253
 Alpha virt. eigenvalues --    1.08525   1.08750   1.09976   1.11113   1.12720
 Alpha virt. eigenvalues --    1.13615   1.14048   1.14864   1.16310   1.17355
 Alpha virt. eigenvalues --    1.19016   1.20033   1.22298   1.23857   1.24984
 Alpha virt. eigenvalues --    1.26193   1.26737   1.28662   1.29893   1.30610
 Alpha virt. eigenvalues --    1.32135   1.34385   1.35918   1.37388   1.38691
 Alpha virt. eigenvalues --    1.39964   1.41313   1.41889   1.43318   1.45383
 Alpha virt. eigenvalues --    1.45624   1.47548   1.48347   1.49704   1.50651
 Alpha virt. eigenvalues --    1.52590   1.54526   1.56373   1.57391   1.58473
 Alpha virt. eigenvalues --    1.58675   1.61407   1.62400   1.62976   1.64956
 Alpha virt. eigenvalues --    1.65054   1.68600   1.69304   1.69929   1.72793
 Alpha virt. eigenvalues --    1.73704   1.74344   1.76119   1.78304   1.79591
 Alpha virt. eigenvalues --    1.79939   1.82116   1.82333   1.82917   1.84369
 Alpha virt. eigenvalues --    1.84872   1.88230   1.89529   1.90311   1.90721
 Alpha virt. eigenvalues --    1.91905   1.92000   1.95139   1.95570   1.97332
 Alpha virt. eigenvalues --    1.98101   1.99361   2.00379   2.01957   2.03581
 Alpha virt. eigenvalues --    2.05230   2.06136   2.06729   2.08202   2.08520
 Alpha virt. eigenvalues --    2.10815   2.11846   2.12494   2.15218   2.17208
 Alpha virt. eigenvalues --    2.17971   2.19755   2.20780   2.23139   2.24014
 Alpha virt. eigenvalues --    2.24944   2.26006   2.28874   2.29271   2.30459
 Alpha virt. eigenvalues --    2.32215   2.32346   2.36701   2.38880   2.38983
 Alpha virt. eigenvalues --    2.41898   2.43152   2.44813   2.45403   2.48286
 Alpha virt. eigenvalues --    2.49039   2.51413   2.54059   2.55022   2.55889
 Alpha virt. eigenvalues --    2.57635   2.58514   2.61374   2.66086   2.67854
 Alpha virt. eigenvalues --    2.69937   2.70725   2.71441   2.73511   2.77300
 Alpha virt. eigenvalues --    2.78246   2.79425   2.83128   2.85200   2.86324
 Alpha virt. eigenvalues --    2.98457   3.02208   3.05230   3.10021   3.15069
 Alpha virt. eigenvalues --    3.22501   3.30159   3.33473   3.38810   3.41262
 Alpha virt. eigenvalues --    3.41798   3.42375   3.42958   3.43582   3.44250
 Alpha virt. eigenvalues --    3.45512   3.47219   3.48289   3.49651   3.49916
 Alpha virt. eigenvalues --    3.51055   3.51955   3.52749   3.53267   3.55552
 Alpha virt. eigenvalues --    3.57216   3.59016   3.61305   3.65424   3.69296
 Alpha virt. eigenvalues --    3.73740   3.76360   3.83837   3.85265   3.95379
 Alpha virt. eigenvalues --    3.99554   4.01136   4.04033   4.05788   4.12778
 Alpha virt. eigenvalues --    4.35932
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.730199  -1.829458  -2.190774   0.283833  -0.040163   0.172637
     2  C   -1.829458  10.291479  -1.292668   0.899447   0.283818  -2.374659
     3  C   -2.190774  -1.292668  11.342525  -3.745849   0.259666   0.937699
     4  C    0.283833   0.899447  -3.745849  12.328229  -0.955847  -2.136780
     5  O   -0.040163   0.283818   0.259666  -0.955847   9.349420  -0.048731
     6  C    0.172637  -2.374659   0.937699  -2.136780  -0.048731   8.774061
     7  O   -0.810505   0.288974   0.177401   0.143474  -0.003162  -0.062499
     8  H   -1.296966   0.522524  -0.174803   0.074473   0.007740  -0.215174
     9  O    0.218834  -0.834447   0.150440  -0.058345  -0.018867   0.279713
    10  H   -0.262695  -1.148717   0.250909  -0.113416  -0.047157   0.449040
    11  H    0.056227   0.005072  -0.950598  -0.089944   0.037478   0.008716
    12  O    0.275283   0.000940  -0.719784   0.127532   0.001356   0.013430
    13  C   -0.604707   0.198836   0.158112  -0.740676   0.045952  -0.170283
    14  H   -0.179506   0.163099   0.700662  -1.714434   0.070905   0.056653
    15  O    0.112825   0.047315  -0.085242   0.203242  -0.093776  -0.257493
    16  H   -0.000379  -0.141299   0.119733   0.292623   0.019897  -0.887706
    17  H    0.210994  -0.145739  -0.008424  -0.022138  -0.002163   0.030556
    18  H   -0.040192   0.240222  -0.025958   0.012004   0.007688  -0.139149
    19  H   -0.056014  -0.007179   0.114118  -0.032715  -0.001503  -0.002597
    20  O   -0.006954  -0.000165  -0.082909   0.127855  -0.045538   0.016921
    21  H    0.113285  -0.006267   0.080383  -0.282778   0.181026   0.052978
    22  H   -0.026149  -0.007391  -0.063139   0.655393  -0.141114  -0.014187
    23  H   -0.002198  -0.073541   0.025850  -0.088423  -0.012849   0.194006
    24  H    0.000394   0.001750   0.038599  -0.062995   0.052918  -0.018714
               7          8          9         10         11         12
     1  C   -0.810505  -1.296966   0.218834  -0.262695   0.056227   0.275283
     2  C    0.288974   0.522524  -0.834447  -1.148717   0.005072   0.000940
     3  C    0.177401  -0.174803   0.150440   0.250909  -0.950598  -0.719784
     4  C    0.143474   0.074473  -0.058345  -0.113416  -0.089944   0.127532
     5  O   -0.003162   0.007740  -0.018867  -0.047157   0.037478   0.001356
     6  C   -0.062499  -0.215174   0.279713   0.449040   0.008716   0.013430
     7  O    8.740547  -0.033167  -0.022618   0.032258  -0.021073  -0.026790
     8  H   -0.033167   2.474106  -0.040122   0.085878   0.118222   0.033697
     9  O   -0.022618  -0.040122   8.716732  -0.013529  -0.004724  -0.005478
    10  H    0.032258   0.085878  -0.013529   2.220674   0.036881   0.004129
    11  H   -0.021073   0.118222  -0.004724   0.036881   2.365049  -0.040622
    12  O   -0.026790   0.033697  -0.005478   0.004129  -0.040622   8.722169
    13  C    0.007559   0.089381  -0.002775   0.042073  -0.029250   0.034957
    14  H   -0.005848  -0.010491  -0.017792  -0.011289   0.115984  -0.029040
    15  O   -0.003216  -0.001533  -0.003634  -0.012455  -0.009583  -0.000026
    16  H    0.002337  -0.008246   0.042449   0.098116  -0.002855  -0.010723
    17  H    0.253660  -0.107219   0.016309  -0.017865  -0.000238   0.005115
    18  H    0.004335   0.006410   0.248062  -0.096813  -0.001788   0.000179
    19  H    0.020440  -0.013978   0.000527   0.001636  -0.064866   0.276719
    20  O   -0.000542  -0.002938  -0.000109  -0.005784   0.005833   0.015078
    21  H   -0.000903   0.014059   0.000148   0.004414  -0.032926  -0.015621
    22  H    0.001090   0.002772   0.000238  -0.001488   0.020132   0.006551
    23  H   -0.000393  -0.004194   0.004402  -0.001870   0.001839   0.000187
    24  H   -0.000588   0.000116  -0.000038   0.000835  -0.012765  -0.002690
              13         14         15         16         17         18
     1  C   -0.604707  -0.179506   0.112825  -0.000379   0.210994  -0.040192
     2  C    0.198836   0.163099   0.047315  -0.141299  -0.145739   0.240222
     3  C    0.158112   0.700662  -0.085242   0.119733  -0.008424  -0.025958
     4  C   -0.740676  -1.714434   0.203242   0.292623  -0.022138   0.012004
     5  O    0.045952   0.070905  -0.093776   0.019897  -0.002163   0.007688
     6  C   -0.170283   0.056653  -0.257493  -0.887706   0.030556  -0.139149
     7  O    0.007559  -0.005848  -0.003216   0.002337   0.253660   0.004335
     8  H    0.089381  -0.010491  -0.001533  -0.008246  -0.107219   0.006410
     9  O   -0.002775  -0.017792  -0.003634   0.042449   0.016309   0.248062
    10  H    0.042073  -0.011289  -0.012455   0.098116  -0.017865  -0.096813
    11  H   -0.029250   0.115984  -0.009583  -0.002855  -0.000238  -0.001788
    12  O    0.034957  -0.029040  -0.000026  -0.010723   0.005115   0.000179
    13  C    5.862043   0.003562  -0.023196   0.050071  -0.006115   0.000922
    14  H    0.003562   2.731976  -0.009428  -0.034262  -0.001385   0.003378
    15  O   -0.023196  -0.009428   8.534704  -0.072130  -0.000278   0.011308
    16  H    0.050071  -0.034262  -0.072130   2.162879  -0.001080  -0.026363
    17  H   -0.006115  -0.001385  -0.000278  -0.001080   0.665141  -0.001821
    18  H    0.000922   0.003378   0.011308  -0.026363  -0.001821   0.668969
    19  H    0.000857   0.000068  -0.000093   0.000072  -0.002155  -0.000310
    20  O    0.029587  -0.002335  -0.003564  -0.002867   0.000336   0.000240
    21  H   -0.177529  -0.077721   0.001036   0.006793  -0.000433  -0.000080
    22  H   -0.269767  -0.119785  -0.006464  -0.000060  -0.000070  -0.000025
    23  H   -0.003187  -0.004275   0.273861  -0.103733   0.000238  -0.001889
    24  H   -0.019970   0.011117   0.005050   0.001543  -0.000020   0.000009
              19         20         21         22         23         24
     1  C   -0.056014  -0.006954   0.113285  -0.026149  -0.002198   0.000394
     2  C   -0.007179  -0.000165  -0.006267  -0.007391  -0.073541   0.001750
     3  C    0.114118  -0.082909   0.080383  -0.063139   0.025850   0.038599
     4  C   -0.032715   0.127855  -0.282778   0.655393  -0.088423  -0.062995
     5  O   -0.001503  -0.045538   0.181026  -0.141114  -0.012849   0.052918
     6  C   -0.002597   0.016921   0.052978  -0.014187   0.194006  -0.018714
     7  O    0.020440  -0.000542  -0.000903   0.001090  -0.000393  -0.000588
     8  H   -0.013978  -0.002938   0.014059   0.002772  -0.004194   0.000116
     9  O    0.000527  -0.000109   0.000148   0.000238   0.004402  -0.000038
    10  H    0.001636  -0.005784   0.004414  -0.001488  -0.001870   0.000835
    11  H   -0.064866   0.005833  -0.032926   0.020132   0.001839  -0.012765
    12  O    0.276719   0.015078  -0.015621   0.006551   0.000187  -0.002690
    13  C    0.000857   0.029587  -0.177529  -0.269767  -0.003187  -0.019970
    14  H    0.000068  -0.002335  -0.077721  -0.119785  -0.004275   0.011117
    15  O   -0.000093  -0.003564   0.001036  -0.006464   0.273861   0.005050
    16  H    0.000072  -0.002867   0.006793  -0.000060  -0.103733   0.001543
    17  H   -0.002155   0.000336  -0.000433  -0.000070   0.000238  -0.000020
    18  H   -0.000310   0.000240  -0.000080  -0.000025  -0.001889   0.000009
    19  H    0.641213  -0.001664  -0.003142   0.000215   0.000141  -0.000205
    20  O   -0.001664   8.402501  -0.164490  -0.001308   0.001038   0.264010
    21  H   -0.003142  -0.164490   2.200540  -0.499876   0.000091   0.035966
    22  H    0.000215  -0.001308  -0.499876   1.905937   0.001073  -0.073259
    23  H    0.000141   0.001038   0.000091   0.001073   0.636604  -0.001375
    24  H   -0.000205   0.264010   0.035966  -0.073259  -0.001375   0.643826
 Mulliken charges:
               1
     1  C    1.172149
     2  C    0.918055
     3  C    0.984051
     4  C    0.896237
     5  O   -0.906994
     6  C    1.341561
     7  O   -0.680772
     8  H   -0.520547
     9  O   -0.655373
    10  H   -0.493763
    11  H   -0.510200
    12  O   -0.666548
    13  C    1.523544
    14  H   -0.639811
    15  O   -0.607229
    16  H   -0.504808
    17  H    0.134796
    18  H    0.130663
    19  H    0.130415
    20  O   -0.542233
    21  H   -0.428955
    22  H   -0.369320
    23  H    0.158598
    24  H    0.136485
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.651601
     2  C    0.424292
     3  C    0.473851
     4  C    0.256426
     5  O   -0.906994
     6  C    0.836754
     7  O   -0.545976
     9  O   -0.524710
    12  O   -0.536133
    13  C    0.725269
    15  O   -0.448631
    20  O   -0.405748
 Electronic spatial extent (au):  <R**2>=           2123.4552
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.2816    Y=             -2.3315    Z=             -2.5323  Tot=              4.7558
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.2579   YY=            -66.3987   ZZ=            -71.8852
   XY=              0.3971   XZ=             -3.4708   YZ=              3.8099
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.0773   YY=              5.7819   ZZ=              0.2954
   XY=              0.3971   XZ=             -3.4708   YZ=              3.8099
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -50.2524  YYY=            -16.2051  ZZZ=              1.0923  XYY=            -15.7280
  XXY=             -7.6114  XXZ=             -9.5796  XZZ=             -6.4679  YZZ=             -9.7444
  YYZ=            -10.8724  XYZ=             -0.2520
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1494.6219 YYYY=           -787.1811 ZZZZ=           -208.5447 XXXY=             26.7721
 XXXZ=            -91.2883 YYYX=             21.0669 YYYZ=             28.5923 ZZZX=              4.0805
 ZZZY=             -3.1753 XXYY=           -363.4345 XXZZ=           -294.2559 YYZZ=           -194.7857
 XXYZ=             18.7640 YYXZ=             34.1986 ZZXY=             -1.7830
 N-N= 8.309567917428D+02 E-N=-3.274680403207D+03  KE= 6.833923187583D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 19:50:18 2022, MaxMem=  5368709120 cpu:               6.7 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.32696465D+00-9.17078247D-01-9.50671358D-01
 Polarizability= 1.27409060D+02 2.83209338D+00 1.21810999D+02
                -2.33453401D+00-2.56793503D-01 1.09858488D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7425    0.7430        0.8459    0.8447
 2     -0.7425   -0.7430        0.1266    0.1258       -3.7125   -3.7138
 3     -0.8459   -0.8447       11.5609   11.5619       -0.1236   -0.1258
 4     -0.1266   -0.1258        0.0000    0.0000       -0.8431   -0.8447
 5     -7.8484   -7.8481        0.8431    0.8447        0.7435    0.7430
 6      0.1236    0.1258       -0.7435   -0.7430        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.2290   -2.2290        2.5341    2.5341
 2     -0.3774   -0.3774        0.0000    0.0000        2.5341    2.5341
 3     -0.3774   -0.3774       -2.2290   -2.2290        0.0000    0.0000
 4     -2.2290   -2.2290        0.3774    0.3774      -11.1415  -11.1415
 5     -2.5341   -2.5341       34.6858   34.6858       -0.3774   -0.3774
 6    -23.5444  -23.5444        2.5341    2.5341        2.2290    2.2290
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0172    0.0000       -3.0051   -2.9721       -3.3099   -3.3788
 2      2.9363    2.9721       -0.6168   -0.5032       14.8212   14.8553
 3      3.4470    3.3788      -46.3534  -46.2478        0.4334    0.5032
 4      0.5422    0.5032        0.1435    0.0000        3.4488    3.3788
 5     31.4882   31.3925       -3.2364   -3.3788       -3.1916   -2.9721
 6     -0.3080   -0.5032        2.9215    2.9721       -0.1041    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0485    0.0000        0.1766    0.1591       -2.9778   -3.0022
 2     -0.1827   -0.1591        6.2392    6.4106       10.1620   10.0516
 3      3.0577    3.0022       -0.6760   -0.7487       -6.4192   -6.4106
 4     -6.5051   -6.4106        0.1221    0.0000        2.9238    3.0022
 5     -9.3729   -9.3029       -3.0394   -3.0022        0.2127    0.1591
 6      6.4269    6.4106       -0.2676   -0.1591        0.0220    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.2819  -27.9652        9.4519    9.5087       -0.2452   -0.1128
 2    -41.9433  -41.5646       16.4838   16.2641       -0.3165   -0.1128
 3    -41.9350  -41.5646        9.7373    9.5087        1.5917    1.7430
 4     -7.0858   -6.7554       13.6914   13.5994        6.8203    7.0775
 5      1.5758    1.8558        1.0516    0.7781      -14.0636  -13.5994
 6     -8.0984   -7.8556       -1.6992   -1.8558        6.3948    6.7554
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.0866   -0.0007    0.0005    0.0007    2.3241    5.7630
 Low frequencies ---   66.6552   86.0877  110.7745
 Diagonal vibrational polarizability:
      142.8434699     102.4175343     181.7094077
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     66.6450                86.0825               110.7678
 Red. masses --      5.9836                 5.2109                 6.7199
 Frc consts  --      0.0157                 0.0228                 0.0486
 IR Inten    --      1.2065                 4.3198                 2.4920
 RamAct Fr= 1--      0.0499                 0.2641                 0.0469
  Dep-P Fr= 1--      0.7231                 0.7500                 0.7099
  Dep-U Fr= 1--      0.8393                 0.8571                 0.8304
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0070                 0.0377                 0.0065
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0044                 0.0742                 0.0497
 Delta2 Fr= 1--     -0.0031                -0.0344                 0.0228
 Raman1 Fr= 1--       0.199                  1.056                  0.188
 ROA1   Fr= 1--      -0.524                  6.027                  5.505
 CID1   Fr= 1--      -2.628                  5.705                 29.315
 Raman2 Fr= 1--       0.084                  0.453                  0.078
 ROA2   Fr= 1--      -0.081                  2.057                  1.011
 CID2   Fr= 1--      -0.965                  4.543                 12.967
 Raman3 Fr= 1--       0.167                  0.906                  0.156
 ROA3   Fr= 1--      -0.524                  6.027                  5.505
 CID3   Fr= 1--      -3.131                  6.656                 35.304
 RC180  Fr= 1--       0.679                  0.714                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.01  -0.02   0.06    -0.01   0.04   0.10
     2   6     0.07  -0.02   0.07    -0.02  -0.02  -0.00    -0.04   0.00  -0.06
     3   6     0.02   0.04  -0.11     0.02  -0.06  -0.02     0.02   0.07  -0.06
     4   6     0.05   0.02  -0.04    -0.02  -0.09   0.02     0.00   0.02   0.02
     5   8     0.02   0.00  -0.11    -0.05  -0.05   0.07     0.03   0.06   0.13
     6   6     0.02   0.04  -0.07    -0.03   0.00  -0.04     0.04  -0.01   0.05
     7   8     0.03  -0.00   0.03     0.08  -0.05   0.16     0.04  -0.07   0.33
     8   1    -0.10  -0.02   0.02    -0.03   0.06   0.08    -0.08   0.21   0.14
     9   8     0.02  -0.03   0.29    -0.01   0.03  -0.01     0.01   0.01  -0.30
    10   1     0.24  -0.07   0.05    -0.04  -0.06  -0.00    -0.23  -0.00  -0.04
    11   1     0.10   0.15  -0.12     0.07  -0.01  -0.03     0.15   0.19  -0.08
    12   8    -0.05   0.01  -0.26     0.02  -0.10  -0.10    -0.09   0.02  -0.29
    13   6     0.02   0.01   0.16    -0.01  -0.06   0.01     0.01   0.02   0.01
    14   1     0.17   0.01  -0.05    -0.03  -0.14   0.02    -0.03  -0.06   0.02
    15   8     0.03  -0.01  -0.17    -0.12  -0.01  -0.17     0.06   0.00   0.09
    16   1    -0.01   0.15  -0.06     0.06   0.08  -0.05     0.10  -0.08   0.03
    17   1     0.01  -0.05   0.13     0.09   0.03   0.17     0.06   0.03   0.32
    18   1     0.10  -0.09   0.26    -0.03   0.01  -0.09    -0.07   0.06  -0.31
    19   1     0.03   0.03  -0.22     0.11  -0.07  -0.06     0.05   0.05  -0.20
    20   8    -0.22  -0.06   0.20     0.12   0.37   0.04    -0.05  -0.16   0.00
    21   1     0.07   0.03   0.30    -0.02  -0.18  -0.29     0.00   0.07   0.14
    22   1     0.11   0.03   0.17    -0.09  -0.23   0.26     0.04   0.09  -0.08
    23   1    -0.02   0.06  -0.26    -0.11   0.03  -0.22     0.16  -0.04   0.16
    24   1    -0.33  -0.02   0.07     0.28   0.35   0.29    -0.14  -0.12  -0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    138.5396               182.9645               227.4107
 Red. masses --      5.7822                 1.5723                 2.1871
 Frc consts  --      0.0654                 0.0310                 0.0666
 IR Inten    --      3.6962               118.1568                25.1402
 RamAct Fr= 1--      0.0745                 0.5510                 0.3851
  Dep-P Fr= 1--      0.7138                 0.6982                 0.6946
  Dep-U Fr= 1--      0.8330                 0.8223                 0.8198
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0004
 Beta2  Fr= 1--      0.0103                 0.0755                 0.0526
 AlphaG Fr= 1--      0.0000                -0.0019                 0.0020
 Gamma2 Fr= 1--     -0.0037                 0.0611                -0.1219
 Delta2 Fr= 1--     -0.0256                 0.1081                -0.1571
 Raman1 Fr= 1--       0.298                  2.204                  1.540
 ROA1   Fr= 1--      -1.173                  9.321                -16.732
 CID1   Fr= 1--      -3.938                  4.229                -10.862
 Raman2 Fr= 1--       0.124                  0.906                  0.631
 ROA2   Fr= 1--       0.116                  0.601                 -1.669
 CID2   Fr= 1--       0.932                  0.663                 -2.644
 Raman3 Fr= 1--       0.248                  1.812                  1.263
 ROA3   Fr= 1--      -1.173                  9.321                -16.732
 CID3   Fr= 1--      -4.728                  5.143                -13.251
 RC180  Fr= 1--       0.666                  0.645                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01     0.02  -0.06   0.03
     2   6    -0.02   0.00   0.07    -0.01   0.01   0.02    -0.05  -0.02   0.04
     3   6    -0.01   0.06   0.05    -0.01  -0.02  -0.01     0.01  -0.03   0.00
     4   6    -0.00   0.00   0.17    -0.00  -0.01  -0.01     0.01  -0.00  -0.02
     5   8    -0.00   0.05   0.27     0.01  -0.01  -0.00    -0.01   0.03   0.02
     6   6     0.04   0.05   0.03     0.01   0.02   0.01    -0.02  -0.02   0.02
     7   8    -0.09   0.06  -0.12     0.11   0.06   0.02     0.11   0.01  -0.03
     8   1     0.01  -0.11   0.00    -0.04   0.03   0.02     0.01  -0.10   0.02
     9   8    -0.02  -0.02   0.07    -0.02  -0.12   0.00    -0.02   0.11  -0.03
    10   1    -0.01  -0.00   0.06    -0.01   0.02   0.02    -0.10  -0.03   0.04
    11   1     0.01   0.20   0.06    -0.02  -0.04  -0.01     0.03  -0.05  -0.00
    12   8    -0.07   0.02  -0.11    -0.03   0.01   0.03    -0.11   0.07   0.03
    13   6     0.03  -0.01  -0.00    -0.00   0.01  -0.00    -0.00  -0.05  -0.01
    14   1    -0.08  -0.07   0.17    -0.01  -0.01  -0.01     0.00  -0.01  -0.02
    15   8    -0.08  -0.01  -0.25    -0.02   0.03   0.00     0.09  -0.10  -0.05
    16   1     0.25   0.19   0.01     0.00   0.03   0.02    -0.01   0.03   0.02
    17   1    -0.08   0.04  -0.21     0.27   0.54  -0.43     0.18   0.23  -0.23
    18   1     0.02  -0.12  -0.08     0.14  -0.40  -0.39    -0.21   0.40   0.34
    19   1    -0.12   0.04  -0.24    -0.20  -0.02  -0.10    -0.45  -0.00  -0.19
    20   8     0.23  -0.19  -0.06    -0.02   0.00  -0.00    -0.02   0.01   0.00
    21   1    -0.02   0.05   0.02    -0.01   0.02   0.01     0.04  -0.10  -0.05
    22   1    -0.02   0.07  -0.15     0.02   0.02  -0.01    -0.05  -0.10   0.04
    23   1    -0.01   0.09  -0.35    -0.13   0.05  -0.05     0.36  -0.10   0.01
    24   1     0.30  -0.25  -0.07    -0.03   0.00  -0.02    -0.09   0.09   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    242.9141               261.9949               278.7670
 Red. masses --      3.3350                 2.1537                 1.7874
 Frc consts  --      0.1159                 0.0871                 0.0818
 IR Inten    --      4.1678                 4.8310               129.9827
 RamAct Fr= 1--      0.9909                 0.2242                 0.6864
  Dep-P Fr= 1--      0.2032                 0.3608                 0.1767
  Dep-U Fr= 1--      0.3377                 0.5302                 0.3003
 Alpha2 Fr= 1--      0.0133                 0.0019                 0.0099
 Beta2  Fr= 1--      0.0558                 0.0198                 0.0343
 AlphaG Fr= 1--     -0.0024                 0.0020                 0.0245
 Gamma2 Fr= 1--     -0.1757                 0.0852                -0.2470
 Delta2 Fr= 1--      0.0161                 0.0717                -0.1652
 Raman1 Fr= 1--       3.964                  0.897                  2.746
 ROA1   Fr= 1--     -16.351                 10.477                -28.993
 CID1   Fr= 1--      -4.125                 11.684                -10.560
 Raman2 Fr= 1--       0.669                  0.238                  0.412
 ROA2   Fr= 1--      -4.346                  1.472                 -4.605
 CID2   Fr= 1--      -6.493                  6.192                -11.173
 Raman3 Fr= 1--       1.339                  0.475                  0.824
 ROA3   Fr= 1--     -16.351                 10.477                -28.993
 CID3   Fr= 1--     -12.216                 22.035                -35.169
 RC180  Fr= 1--      -0.325                  0.060                 -0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.00  -0.01   0.00    -0.06   0.05  -0.06
     2   6     0.02  -0.00   0.02    -0.01  -0.01   0.02    -0.06   0.02  -0.06
     3   6     0.02   0.02  -0.02    -0.03  -0.05   0.00    -0.04  -0.00  -0.05
     4   6    -0.05   0.01  -0.03    -0.04  -0.03   0.00     0.00  -0.00   0.00
     5   8     0.02   0.07   0.21     0.01  -0.05   0.04    -0.02   0.04   0.01
     6   6     0.07   0.00   0.05    -0.00  -0.03   0.02    -0.01   0.02  -0.04
     7   8    -0.00   0.02  -0.01     0.07   0.02  -0.01     0.04   0.02   0.04
     8   1    -0.01   0.01  -0.01    -0.01  -0.02   0.00    -0.08   0.12  -0.05
     9   8     0.02  -0.06   0.01     0.01   0.04  -0.02    -0.10  -0.07   0.04
    10   1     0.02   0.04   0.02    -0.03   0.01   0.02     0.00   0.04  -0.07
    11   1     0.01  -0.04  -0.02    -0.03  -0.07   0.00    -0.10  -0.01  -0.04
    12   8     0.12  -0.02   0.05     0.04  -0.10  -0.00     0.05  -0.04   0.00
    13   6    -0.07  -0.04  -0.11     0.01   0.23  -0.00     0.01  -0.01   0.03
    14   1    -0.21  -0.11  -0.02    -0.08  -0.05   0.01     0.06  -0.03  -0.01
    15   8     0.05  -0.05  -0.09    -0.03  -0.04  -0.03     0.04   0.01  -0.01
    16   1     0.20   0.04   0.04     0.03  -0.01   0.02     0.02  -0.01  -0.05
    17   1    -0.03  -0.05   0.07     0.08   0.07  -0.01     0.08   0.20  -0.03
    18   1     0.05  -0.08   0.01    -0.09   0.22   0.24    -0.07   0.04   0.35
    19   1     0.29   0.01   0.18     0.05  -0.07  -0.07     0.32  -0.02   0.28
    20   8    -0.20   0.04  -0.08    -0.06   0.02  -0.02     0.06  -0.02   0.02
    21   1     0.00  -0.11  -0.15    -0.20   0.48   0.21     0.01  -0.01   0.02
    22   1    -0.15  -0.11  -0.04     0.32   0.42  -0.16    -0.01  -0.01   0.02
    23   1     0.22  -0.02  -0.09    -0.04  -0.01  -0.06     0.62  -0.14   0.30
    24   1    -0.57   0.39  -0.03     0.13  -0.24  -0.22     0.16  -0.12   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.8179               310.9008               318.3670
 Red. masses --      2.6616                 1.6536                 1.3138
 Frc consts  --      0.1326                 0.0942                 0.0785
 IR Inten    --     46.4566                96.9733               179.3267
 RamAct Fr= 1--      0.8043                 1.2038                 0.3480
  Dep-P Fr= 1--      0.5459                 0.5064                 0.3700
  Dep-U Fr= 1--      0.7063                 0.6723                 0.5401
 Alpha2 Fr= 1--      0.0031                 0.0058                 0.0029
 Beta2  Fr= 1--      0.0947                 0.1349                 0.0313
 AlphaG Fr= 1--     -0.0089                -0.0145                -0.0081
 Gamma2 Fr= 1--      0.2149                -0.1379                 0.3517
 Delta2 Fr= 1--      0.1853                 0.2331                 0.1405
 Raman1 Fr= 1--       3.217                  4.815                  1.392
 ROA1   Fr= 1--      26.564                 -5.783                 38.262
 CID1   Fr= 1--       8.257                 -1.201                 27.488
 Raman2 Fr= 1--       1.136                  1.619                  0.376
 ROA2   Fr= 1--       3.676                 -5.175                  7.318
 CID2   Fr= 1--       3.236                 -3.197                 19.466
 Raman3 Fr= 1--       2.272                  3.237                  0.752
 ROA3   Fr= 1--      26.564                 -5.783                 38.262
 CID3   Fr= 1--      11.691                 -1.786                 50.892
 RC180  Fr= 1--       0.413                  0.345                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.11     0.02  -0.01  -0.03    -0.01   0.04  -0.03
     2   6     0.02   0.01  -0.08     0.04  -0.01  -0.05     0.02   0.00  -0.06
     3   6    -0.02  -0.03  -0.10     0.01   0.00   0.00    -0.00   0.03  -0.01
     4   6     0.04  -0.04  -0.04    -0.00  -0.01   0.00    -0.00   0.01   0.01
     5   8     0.02   0.01   0.11     0.00  -0.01   0.03     0.01   0.00   0.01
     6   6     0.03  -0.01  -0.02     0.01  -0.02  -0.04     0.01  -0.02  -0.02
     7   8     0.13  -0.05  -0.00    -0.07  -0.09   0.04    -0.05  -0.03   0.06
     8   1    -0.05   0.05  -0.09     0.04   0.04  -0.02     0.00   0.10  -0.02
     9   8    -0.01  -0.06   0.02     0.04   0.07   0.06     0.01  -0.05  -0.01
    10   1     0.09   0.04  -0.08     0.11  -0.04  -0.06     0.06   0.03  -0.06
    11   1    -0.10  -0.10  -0.08    -0.00  -0.00   0.00    -0.04   0.04  -0.00
    12   8    -0.09   0.11   0.08     0.03   0.00   0.02     0.06   0.01   0.01
    13   6     0.05   0.01  -0.00    -0.00   0.02  -0.01    -0.01  -0.01   0.00
    14   1     0.03  -0.17  -0.05    -0.03  -0.02   0.00    -0.00   0.00   0.01
    15   8    -0.11   0.09   0.01    -0.07   0.05  -0.00    -0.01   0.00   0.02
    16   1     0.13  -0.07  -0.03     0.08  -0.07  -0.06     0.02  -0.07  -0.02
    17   1    -0.03  -0.36   0.63     0.01   0.09  -0.29     0.06   0.24  -0.34
    18   1     0.03   0.01   0.24     0.07  -0.09  -0.25    -0.05   0.26   0.61
    19   1    -0.34   0.01   0.03    -0.32   0.00  -0.41    -0.15   0.02  -0.27
    20   8     0.00  -0.01   0.00    -0.03   0.01  -0.01     0.01  -0.01  -0.00
    21   1     0.02   0.05   0.04    -0.03   0.05   0.01     0.02  -0.04  -0.02
    22   1     0.11   0.03  -0.01     0.04   0.04  -0.02    -0.05  -0.03   0.01
    23   1    -0.17   0.03   0.07     0.53  -0.17   0.40    -0.42   0.09  -0.18
    24   1    -0.05   0.02  -0.02    -0.02  -0.01  -0.03    -0.08   0.09   0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    330.9639               346.9335               361.4006
 Red. masses --      1.7791                 1.8515                 1.4683
 Frc consts  --      0.1148                 0.1313                 0.1130
 IR Inten    --     46.4988               145.5595               206.6404
 RamAct Fr= 1--      0.7857                 0.4033                 1.2950
  Dep-P Fr= 1--      0.5608                 0.2177                 0.6354
  Dep-U Fr= 1--      0.7186                 0.3576                 0.7770
 Alpha2 Fr= 1--      0.0028                 0.0052                 0.0027
 Beta2  Fr= 1--      0.0941                 0.0240                 0.1677
 AlphaG Fr= 1--     -0.0076                -0.0098                -0.0023
 Gamma2 Fr= 1--     -0.5359                -0.2008                 0.3136
 Delta2 Fr= 1--     -0.3321                -0.1691                 0.2214
 Raman1 Fr= 1--       3.143                  1.613                  5.180
 ROA1   Fr= 1--     -62.072                -24.686                 37.194
 CID1   Fr= 1--     -19.750                -15.303                  7.180
 Raman2 Fr= 1--       1.129                  0.288                  2.013
 ROA2   Fr= 1--     -10.204                 -3.466                  5.756
 CID2   Fr= 1--      -9.036                -12.015                  2.860
 Raman3 Fr= 1--       2.259                  0.577                  4.025
 ROA3   Fr= 1--     -62.072                -24.686                 37.194
 CID3   Fr= 1--     -27.483                -42.792                  9.240
 RC180  Fr= 1--       0.437                 -0.285                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.06     0.02  -0.03   0.06    -0.03  -0.00  -0.02
     2   6    -0.00  -0.02  -0.05     0.03  -0.01   0.05    -0.05   0.00  -0.02
     3   6     0.01   0.01  -0.06     0.02  -0.02   0.03    -0.03  -0.02  -0.00
     4   6     0.02  -0.01  -0.02     0.03  -0.01  -0.00     0.02   0.01   0.01
     5   8    -0.01   0.03   0.06     0.04  -0.06  -0.03     0.00   0.01  -0.02
     6   6    -0.02  -0.05  -0.01     0.02   0.02   0.02    -0.02  -0.00  -0.01
     7   8    -0.01  -0.10   0.02    -0.03  -0.01  -0.02     0.02  -0.01   0.01
     8   1     0.00   0.01  -0.05     0.05  -0.08   0.04    -0.03   0.01  -0.02
     9   8    -0.01   0.11   0.06     0.05  -0.04  -0.05    -0.06   0.05   0.03
    10   1     0.06  -0.02  -0.06    -0.02  -0.02   0.05    -0.03   0.00  -0.02
    11   1    -0.00  -0.01  -0.06     0.08  -0.00   0.02    -0.07   0.00   0.01
    12   8    -0.03   0.07  -0.00    -0.09   0.01  -0.03     0.02  -0.06   0.00
    13   6     0.02   0.02   0.01     0.04   0.02  -0.02     0.04   0.06   0.01
    14   1     0.02  -0.08  -0.03     0.01   0.01   0.00     0.05   0.01   0.01
    15   8     0.01  -0.06   0.02    -0.11   0.09  -0.02     0.03  -0.02   0.01
    16   1     0.02  -0.12  -0.02     0.03   0.08   0.02    -0.02  -0.03  -0.01
    17   1     0.12   0.22  -0.38     0.04   0.12  -0.30    -0.01  -0.03   0.11
    18   1     0.00  -0.03  -0.25    -0.03   0.18   0.33    -0.03  -0.07  -0.19
    19   1     0.37   0.02   0.60     0.28  -0.02   0.49    -0.04  -0.03  -0.15
    20   8     0.00  -0.00   0.01     0.01  -0.01  -0.01     0.09  -0.05  -0.00
    21   1    -0.00   0.05   0.03     0.02   0.04   0.01    -0.00   0.11   0.05
    22   1     0.07   0.04  -0.01     0.06   0.03  -0.03     0.07   0.10  -0.06
    23   1    -0.32   0.02  -0.14     0.22  -0.04   0.21    -0.07   0.01  -0.04
    24   1     0.05  -0.06  -0.03    -0.35   0.35   0.06    -0.61   0.66   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    411.1216               423.0697               454.3415
 Red. masses --      4.1276                 5.9848                 5.4838
 Frc consts  --      0.4110                 0.6311                 0.6670
 IR Inten    --     17.3752                 1.2919                 5.7067
 RamAct Fr= 1--      3.3424                 4.0676                 4.5443
  Dep-P Fr= 1--      0.7105                 0.5679                 0.0850
  Dep-U Fr= 1--      0.8308                 0.7244                 0.1568
 Alpha2 Fr= 1--      0.0023                 0.0140                 0.0825
 Beta2  Fr= 1--      0.4628                 0.4911                 0.1187
 AlphaG Fr= 1--      0.0029                 0.0020                -0.0153
 Gamma2 Fr= 1--     -0.0933                -0.0435                -0.1400
 Delta2 Fr= 1--      0.0440                -0.0461                -0.0365
 Raman1 Fr= 1--      13.370                 16.271                 18.177
 ROA1   Fr= 1--      -7.544                 -5.653                -14.607
 CID1   Fr= 1--      -0.564                 -0.347                 -0.804
 Raman2 Fr= 1--       5.553                  5.893                  1.425
 ROA2   Fr= 1--      -2.591                 -0.676                 -3.068
 CID2   Fr= 1--      -0.466                 -0.115                 -2.154
 Raman3 Fr= 1--      11.107                 11.786                  2.849
 ROA3   Fr= 1--      -7.544                 -5.653                -14.607
 CID3   Fr= 1--      -0.679                 -0.480                 -5.127
 RC180  Fr= 1--       0.662                  0.449                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.01     0.09  -0.17   0.07     0.07  -0.11   0.04
     2   6     0.06  -0.09  -0.11    -0.14  -0.07   0.12    -0.04  -0.02  -0.15
     3   6     0.05   0.14   0.13     0.20   0.04  -0.02     0.03  -0.09   0.23
     4   6    -0.09   0.10   0.14     0.10   0.09  -0.08     0.02   0.08   0.10
     5   8    -0.08  -0.02  -0.02    -0.09   0.21  -0.01     0.01   0.13   0.05
     6   6    -0.07  -0.16  -0.10    -0.16   0.06   0.07     0.06   0.08  -0.17
     7   8     0.15   0.06  -0.04     0.03  -0.18  -0.05     0.07  -0.10  -0.06
     8   1     0.21   0.03  -0.01     0.09  -0.28   0.04     0.35  -0.08  -0.01
     9   8     0.05  -0.06   0.02    -0.15  -0.12  -0.04    -0.10   0.00   0.06
    10   1     0.13  -0.18  -0.12    -0.26  -0.06   0.13     0.02  -0.21  -0.18
    11   1     0.06   0.30   0.13     0.29   0.02  -0.04     0.08   0.01   0.22
    12   8     0.01   0.10  -0.06     0.20   0.09  -0.02    -0.14  -0.19  -0.05
    13   6    -0.12   0.05   0.02     0.10   0.05  -0.01    -0.02  -0.00  -0.05
    14   1    -0.12   0.23   0.16     0.12   0.10  -0.07    -0.08   0.25   0.13
    15   8    -0.10  -0.13   0.02    -0.13   0.00   0.01     0.13   0.20   0.05
    16   1    -0.07  -0.29  -0.11    -0.23   0.14   0.09     0.16  -0.08  -0.19
    17   1     0.10  -0.01   0.18     0.04  -0.19  -0.15     0.07  -0.11  -0.05
    18   1     0.08  -0.07   0.05    -0.14  -0.08   0.08    -0.02  -0.02   0.14
    19   1     0.16   0.13   0.05     0.01   0.09  -0.24     0.04  -0.13  -0.00
    20   8     0.03  -0.01  -0.02    -0.01   0.02   0.01    -0.09   0.04  -0.04
    21   1    -0.14   0.05  -0.01     0.09   0.10   0.08     0.05  -0.07  -0.09
    22   1    -0.19   0.07  -0.05     0.21   0.09  -0.02    -0.12  -0.05  -0.03
    23   1     0.09  -0.25   0.21    -0.01   0.01   0.02    -0.31   0.16   0.01
    24   1    -0.11   0.16   0.08     0.01  -0.05  -0.09     0.04  -0.11  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    516.4446               567.2524               588.9655
 Red. masses --      5.3481                 3.3147                 3.9924
 Frc consts  --      0.8404                 0.6284                 0.8160
 IR Inten    --     46.6324                 6.4137                42.6718
 RamAct Fr= 1--     14.6957                 1.4114                 0.3279
  Dep-P Fr= 1--      0.1019                 0.2774                 0.6904
  Dep-U Fr= 1--      0.1849                 0.4343                 0.8168
 Alpha2 Fr= 1--      0.2561                 0.0155                 0.0003
 Beta2  Fr= 1--      0.4529                 0.1022                 0.0446
 AlphaG Fr= 1--      0.0178                 0.0067                 0.0002
 Gamma2 Fr= 1--      0.2536                 0.1257                 0.1614
 Delta2 Fr= 1--     -0.0273                 0.1191                 0.0207
 Raman1 Fr= 1--      58.783                  5.646                  1.311
 ROA1   Fr= 1--      23.474                 15.878                 16.157
 CID1   Fr= 1--       0.399                  2.812                 12.320
 Raman2 Fr= 1--       5.435                  1.226                  0.536
 ROA2   Fr= 1--       6.305                  2.064                  3.708
 CID2   Fr= 1--       1.160                  1.683                  6.923
 Raman3 Fr= 1--      10.870                  2.452                  1.071
 ROA3   Fr= 1--      23.474                 15.878                 16.157
 CID3   Fr= 1--       2.160                  6.476                 15.082
 RC180  Fr= 1--      -0.630                 -0.131                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.15    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.11  -0.03  -0.11    -0.04  -0.07   0.05     0.04  -0.18   0.03
     3   6     0.12  -0.01   0.06    -0.13   0.08   0.00    -0.06  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.04  -0.14
     5   8     0.12  -0.11   0.04     0.18  -0.00  -0.04    -0.05   0.19   0.06
     6   6     0.05  -0.14  -0.08     0.10  -0.07   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.23   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.15   0.14   0.13    -0.29  -0.12  -0.03    -0.29  -0.14   0.18
     9   8    -0.22   0.04   0.06    -0.03   0.07   0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.04   0.06     0.03  -0.57  -0.02
    11   1     0.30  -0.03   0.02    -0.30   0.17   0.04     0.04  -0.23  -0.13
    12   8     0.02   0.07  -0.02     0.05  -0.05   0.00     0.02  -0.07   0.03
    13   6     0.19  -0.05  -0.07     0.03  -0.01  -0.02    -0.01   0.01   0.04
    14   1     0.03  -0.09  -0.03     0.05   0.26   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.01    -0.03   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.14  -0.05   0.06     0.06  -0.18  -0.17
    17   1    -0.14   0.01   0.04     0.08   0.15   0.10    -0.03   0.11   0.01
    18   1    -0.15  -0.04  -0.01    -0.16   0.12  -0.09    -0.06   0.14  -0.03
    19   1    -0.04   0.04  -0.01     0.17   0.05  -0.11     0.01  -0.05  -0.02
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.02     0.30  -0.26  -0.12     0.03  -0.02   0.05
    22   1     0.28  -0.07   0.00    -0.32  -0.16   0.06    -0.02  -0.00   0.05
    23   1    -0.16  -0.14   0.12    -0.08  -0.06   0.07    -0.18  -0.09   0.18
    24   1    -0.02  -0.09  -0.17     0.08  -0.14  -0.11     0.03   0.02   0.08
                     22                     23                     24
                      A                      A                      A
 Frequencies --    629.2353               716.3875               904.5680
 Red. masses --      5.0470                 3.9378                 3.0854
 Frc consts  --      1.1774                 1.1907                 1.4875
 IR Inten    --     49.5390                 3.2267                56.2054
 RamAct Fr= 1--      0.0565                 0.6170                 6.0332
  Dep-P Fr= 1--      0.6294                 0.3416                 0.3711
  Dep-U Fr= 1--      0.7725                 0.5093                 0.5413
 Alpha2 Fr= 1--      0.0001                 0.0056                 0.0494
 Beta2  Fr= 1--      0.0073                 0.0524                 0.5443
 AlphaG Fr= 1--      0.0003                 0.0046                -0.0408
 Gamma2 Fr= 1--      0.0399                 0.1158                -0.3547
 Delta2 Fr= 1--      0.0654                 0.0355                -0.9553
 Raman1 Fr= 1--       0.226                  2.468                 24.133
 ROA1   Fr= 1--       5.919                 12.258                -64.622
 CID1   Fr= 1--      26.189                  4.966                 -2.678
 Raman2 Fr= 1--       0.087                  0.628                  6.532
 ROA2   Fr= 1--       0.434                  2.496                 -0.870
 CID2   Fr= 1--       4.966                  3.972                 -0.133
 Raman3 Fr= 1--       0.175                  1.257                 13.063
 ROA3   Fr= 1--       5.919                 12.258                -64.622
 CID3   Fr= 1--      33.899                  9.751                 -4.947
 RC180  Fr= 1--       0.545                  0.019                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.10   0.09    -0.12  -0.02  -0.04     0.01   0.03   0.05
     2   6    -0.07  -0.11   0.06     0.01  -0.05   0.05     0.00   0.02  -0.01
     3   6     0.00   0.08  -0.08    -0.07   0.07   0.02    -0.07   0.06   0.06
     4   6    -0.11  -0.11   0.06     0.11  -0.08   0.19    -0.15   0.08  -0.16
     5   8     0.03  -0.20  -0.00    -0.15  -0.04   0.02    -0.05  -0.11   0.06
     6   6     0.10   0.03  -0.09    -0.12   0.05  -0.09    -0.06   0.00  -0.02
     7   8     0.04  -0.06  -0.05     0.01   0.01   0.01     0.03  -0.06  -0.04
     8   1    -0.23  -0.26   0.09    -0.32  -0.08  -0.01     0.12  -0.01   0.02
     9   8    -0.10   0.04  -0.00     0.11  -0.01  -0.02     0.00  -0.00   0.00
    10   1    -0.18  -0.37   0.04     0.07  -0.16   0.03     0.00  -0.02  -0.02
    11   1     0.05   0.16  -0.09    -0.31   0.33   0.08     0.05  -0.06   0.02
    12   8     0.14   0.18  -0.01     0.02   0.03   0.00     0.00   0.01  -0.00
    13   6    -0.18   0.01   0.03     0.24  -0.07  -0.08     0.15   0.08  -0.11
    14   1    -0.11  -0.19   0.06     0.06  -0.03   0.20    -0.58   0.02  -0.11
    15   8     0.14   0.20   0.00     0.06   0.02   0.02     0.04   0.03  -0.01
    16   1     0.19   0.09  -0.11    -0.20   0.08  -0.08    -0.03   0.02  -0.02
    17   1     0.05   0.02  -0.01     0.02   0.16   0.11     0.04  -0.01  -0.01
    18   1    -0.21   0.09  -0.06    -0.02   0.07  -0.04     0.05  -0.03   0.02
    19   1     0.07   0.13   0.03     0.08   0.07  -0.04     0.13   0.10  -0.10
    20   8     0.02  -0.01  -0.01    -0.09   0.05  -0.07     0.05  -0.03   0.16
    21   1    -0.31   0.11   0.02     0.15   0.02  -0.06     0.51  -0.21  -0.12
    22   1    -0.09   0.08  -0.03     0.37  -0.04  -0.08    -0.08  -0.15   0.16
    23   1    -0.12   0.11   0.06     0.01   0.02   0.01     0.03   0.04  -0.03
    24   1     0.02   0.06   0.14    -0.10  -0.03  -0.26    -0.09  -0.08  -0.18
                     25                     26                     27
                      A                      A                      A
 Frequencies --    919.5090              1006.2992              1018.1306
 Red. masses --      2.0619                 4.1045                 4.4190
 Frc consts  --      1.0271                 2.4489                 2.6989
 IR Inten    --      9.9783               222.1211                64.6218
 RamAct Fr= 1--      2.6846                 1.3155                 2.4392
  Dep-P Fr= 1--      0.2855                 0.1533                 0.3767
  Dep-U Fr= 1--      0.4442                 0.2658                 0.5473
 Alpha2 Fr= 1--      0.0287                 0.0202                 0.0196
 Beta2  Fr= 1--      0.1987                 0.0583                 0.2225
 AlphaG Fr= 1--     -0.0400                 0.0188                -0.0344
 Gamma2 Fr= 1--      0.1567                 0.6230                 0.8419
 Delta2 Fr= 1--      0.6354                 0.9455                 0.9570
 Raman1 Fr= 1--      10.738                  5.262                  9.757
 ROA1   Fr= 1--      35.379                 90.068                111.441
 CID1   Fr= 1--       3.295                 17.117                 11.422
 Raman2 Fr= 1--       2.385                  0.699                  2.670
 ROA2   Fr= 1--      -1.322                  7.389                 12.549
 CID2   Fr= 1--      -0.554                 10.566                  4.700
 Raman3 Fr= 1--       4.770                  1.399                  5.340
 ROA3   Fr= 1--      35.379                 90.068                111.441
 CID3   Fr= 1--       7.418                 64.398                 20.869
 RC180  Fr= 1--      -0.112                 -0.468                  0.095
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.02     0.05   0.10   0.22     0.24   0.04  -0.14
     2   6    -0.00  -0.02  -0.01     0.11   0.16   0.05     0.13  -0.14   0.18
     3   6    -0.02   0.07   0.11    -0.13   0.16  -0.08     0.02   0.14  -0.13
     4   6    -0.07  -0.07  -0.08     0.03  -0.00  -0.03    -0.06  -0.02   0.05
     5   8     0.01   0.08  -0.04    -0.04  -0.02   0.02     0.03   0.03  -0.01
     6   6     0.10  -0.02   0.05     0.08   0.02  -0.11    -0.04  -0.08  -0.02
     7   8     0.02  -0.03  -0.01     0.05  -0.13  -0.09    -0.01   0.08   0.08
     8   1     0.00  -0.01  -0.03    -0.09  -0.08   0.20     0.04   0.08  -0.09
     9   8     0.00   0.01   0.01    -0.10   0.02  -0.04    -0.15  -0.00  -0.04
    10   1     0.00   0.05  -0.00    -0.08  -0.05   0.04     0.06  -0.15   0.17
    11   1    -0.06   0.13   0.12    -0.11   0.07  -0.07    -0.32   0.22  -0.05
    12   8    -0.00   0.01  -0.01    -0.05  -0.06   0.06    -0.09  -0.10   0.07
    13   6     0.02  -0.15  -0.07     0.03  -0.05   0.11     0.02  -0.03  -0.09
    14   1    -0.26   0.10  -0.06     0.23  -0.23  -0.07    -0.17  -0.01   0.06
    15   8    -0.02  -0.00  -0.01    -0.03  -0.08   0.03     0.03   0.06  -0.03
    16   1     0.10  -0.03   0.04     0.06  -0.07  -0.11    -0.07   0.10  -0.01
    17   1     0.02   0.12   0.09     0.06  -0.24  -0.19    -0.03  -0.39  -0.31
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.18    -0.31   0.07  -0.12
    19   1     0.14   0.12  -0.11     0.25   0.19  -0.22     0.03  -0.02  -0.01
    20   8     0.01   0.01   0.05    -0.02   0.02  -0.11     0.01  -0.00   0.07
    21   1    -0.33   0.24   0.24    -0.00   0.00   0.16    -0.05   0.04  -0.04
    22   1     0.60   0.10  -0.16     0.11   0.03   0.01     0.11  -0.00  -0.07
    23   1    -0.02  -0.01   0.00    -0.06  -0.13   0.08    -0.13  -0.11   0.16
    24   1     0.08   0.05   0.27     0.06   0.04   0.08    -0.02  -0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1036.4480              1048.2150              1063.9907
 Red. masses --      3.2313                 5.5037                 3.6291
 Frc consts  --      2.0451                 3.5629                 2.4206
 IR Inten    --     55.9716               212.6161               152.5913
 RamAct Fr= 1--      1.2395                 7.6669                 8.7054
  Dep-P Fr= 1--      0.4899                 0.1717                 0.3382
  Dep-U Fr= 1--      0.6576                 0.2930                 0.5055
 Alpha2 Fr= 1--      0.0064                 0.1121                 0.0794
 Beta2  Fr= 1--      0.1358                 0.3744                 0.7334
 AlphaG Fr= 1--      0.0259                 0.0727                -0.0063
 Gamma2 Fr= 1--      0.5003                 0.7307                -2.6088
 Delta2 Fr= 1--      0.2648                 0.3606                -0.5302
 Raman1 Fr= 1--       4.958                 30.668                 34.822
 ROA1   Fr= 1--      56.500                 81.688               -267.414
 CID1   Fr= 1--      11.396                  2.664                 -7.680
 Raman2 Fr= 1--       1.630                  4.493                  8.800
 ROA2   Fr= 1--       9.889                 14.652                -58.371
 CID2   Fr= 1--       6.066                  3.261                 -6.633
 Raman3 Fr= 1--       3.260                  8.986                 17.601
 ROA3   Fr= 1--      56.500                 81.688               -267.414
 CID3   Fr= 1--      17.329                  9.091                -15.193
 RC180  Fr= 1--       0.315                 -0.414                  0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01   0.02     0.03  -0.06   0.06     0.06   0.03   0.15
     2   6     0.02   0.18   0.12     0.07  -0.07  -0.12    -0.05  -0.04  -0.17
     3   6     0.06  -0.10  -0.03    -0.01  -0.05  -0.11    -0.11   0.03  -0.08
     4   6    -0.05  -0.06   0.13    -0.08  -0.00   0.14    -0.04  -0.14   0.11
     5   8     0.07   0.09  -0.03    -0.26   0.05  -0.13     0.18   0.09  -0.06
     6   6     0.03  -0.04  -0.16     0.38   0.04   0.18    -0.16   0.08   0.10
     7   8    -0.01  -0.04  -0.02    -0.00   0.04   0.01     0.03  -0.02  -0.04
     8   1    -0.27  -0.14   0.04    -0.06  -0.01   0.08     0.07   0.12   0.15
     9   8    -0.02   0.01  -0.03    -0.07   0.03   0.01     0.05  -0.01   0.03
    10   1    -0.02   0.23   0.13    -0.05  -0.08  -0.11    -0.11  -0.32  -0.19
    11   1     0.05   0.01  -0.03    -0.02   0.05  -0.11    -0.16   0.12  -0.06
    12   8     0.03   0.03  -0.02     0.03   0.01  -0.00    -0.00   0.00   0.02
    13   6    -0.01   0.03  -0.16     0.11   0.05  -0.03    -0.01   0.00  -0.10
    14   1    -0.18   0.07   0.14    -0.18  -0.04   0.15     0.08  -0.19   0.07
    15   8    -0.02  -0.06   0.01    -0.06  -0.03   0.02    -0.03  -0.01   0.01
    16   1     0.09  -0.08  -0.17     0.26  -0.01   0.17    -0.09  -0.06   0.09
    17   1    -0.00   0.06   0.06    -0.01  -0.15  -0.13     0.01  -0.23  -0.17
    18   1     0.24  -0.11   0.11     0.05  -0.02   0.06     0.07  -0.03   0.01
    19   1    -0.23  -0.18   0.19    -0.20  -0.16   0.18     0.09   0.08  -0.07
    20   8     0.01  -0.01   0.13     0.00  -0.01   0.03     0.01  -0.00   0.08
    21   1    -0.10   0.04  -0.25     0.13  -0.06  -0.26    -0.17   0.05  -0.27
    22   1    -0.06  -0.04  -0.06    -0.09  -0.08   0.08    -0.01  -0.06  -0.00
    23   1    -0.21  -0.30   0.27     0.11   0.14  -0.17     0.25   0.27  -0.29
    24   1    -0.10  -0.05  -0.15    -0.16  -0.03  -0.30    -0.09  -0.05  -0.20
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1076.5214              1092.2379              1102.0144
 Red. masses --      3.4879                 2.2298                 2.2328
 Frc consts  --      2.3815                 1.5673                 1.5976
 IR Inten    --    261.3741               181.8035               112.8435
 RamAct Fr= 1--      3.2547                 0.6543                10.2364
  Dep-P Fr= 1--      0.7208                 0.1176                 0.6681
  Dep-U Fr= 1--      0.8377                 0.2105                 0.8011
 Alpha2 Fr= 1--      0.0016                 0.0110                 0.0149
 Beta2  Fr= 1--      0.4544                 0.0230                 1.3666
 AlphaG Fr= 1--     -0.0018                 0.0004                -0.0092
 Gamma2 Fr= 1--     -0.0245                 0.4751                -1.8446
 Delta2 Fr= 1--     -1.0435                 0.2196                -1.3809
 Raman1 Fr= 1--      13.019                  2.617                 40.945
 ROA1   Fr= 1--     -35.746                 52.634               -221.273
 CID1   Fr= 1--      -2.746                 20.109                 -5.404
 Raman2 Fr= 1--       5.453                  0.275                 16.400
 ROA2   Fr= 1--       7.760                  9.645                -33.223
 CID2   Fr= 1--       1.423                 35.015                 -2.026
 Raman3 Fr= 1--      10.906                  0.551                 32.799
 ROA3   Fr= 1--     -35.746                 52.634               -221.273
 CID3   Fr= 1--      -3.278                 95.543                 -6.746
 RC180  Fr= 1--       0.675                 -0.579                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.09   0.03    -0.06   0.16  -0.04    -0.04   0.21   0.03
     2   6     0.07   0.02  -0.10     0.00  -0.07   0.05     0.03  -0.07   0.01
     3   6     0.17   0.12  -0.09     0.08   0.08   0.07     0.07  -0.07  -0.06
     4   6     0.13   0.13  -0.01     0.07  -0.10  -0.04    -0.08   0.07   0.07
     5   8    -0.03  -0.11   0.05    -0.03   0.02  -0.01     0.04  -0.01  -0.00
     6   6    -0.03   0.09   0.01     0.07   0.05  -0.01    -0.03   0.04   0.01
     7   8    -0.02   0.02  -0.00     0.01  -0.07  -0.04     0.01  -0.08  -0.06
     8   1    -0.40  -0.18   0.07     0.08   0.16  -0.07    -0.11   0.25   0.04
     9   8    -0.03   0.02  -0.01    -0.00  -0.01   0.00    -0.01  -0.01   0.00
    10   1     0.07  -0.17  -0.12     0.08  -0.15   0.03     0.08  -0.29  -0.02
    11   1     0.17   0.14  -0.08     0.18  -0.02   0.05     0.17  -0.09  -0.08
    12   8    -0.06  -0.10   0.06    -0.04  -0.03   0.02     0.01  -0.01  -0.01
    13   6    -0.10  -0.03  -0.16    -0.05   0.08  -0.02     0.05  -0.05   0.03
    14   1     0.05   0.17   0.01     0.29  -0.29  -0.08    -0.28   0.20   0.10
    15   8    -0.01  -0.03   0.03    -0.02  -0.03   0.02    -0.01  -0.01   0.02
    16   1    -0.09   0.02   0.02     0.04   0.10  -0.01    -0.03   0.04   0.01
    17   1    -0.01   0.18   0.14     0.03   0.23   0.18     0.02   0.03   0.03
    18   1     0.21  -0.09   0.10    -0.33   0.15  -0.14    -0.26   0.11  -0.11
    19   1    -0.05  -0.09   0.04     0.10   0.08  -0.10    -0.32  -0.27   0.25
    20   8     0.01  -0.00   0.11     0.02  -0.02   0.04    -0.02   0.01  -0.04
    21   1    -0.18   0.12   0.03    -0.12  -0.02  -0.38     0.14  -0.01   0.30
    22   1     0.03   0.11  -0.29    -0.16  -0.08   0.19     0.09   0.06  -0.13
    23   1     0.20   0.20  -0.23    -0.03  -0.02   0.01     0.07   0.08  -0.08
    24   1     0.06  -0.01   0.20    -0.13  -0.06  -0.31     0.10   0.05   0.23
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1111.0960              1120.0372              1148.3796
 Red. masses --      3.2189                 3.8177                 3.5517
 Frc consts  --      2.3413                 2.8217                 2.7597
 IR Inten    --     60.2730                40.0530                37.6191
 RamAct Fr= 1--     11.3687                12.0136                 4.4449
  Dep-P Fr= 1--      0.7421                 0.4911                 0.5386
  Dep-U Fr= 1--      0.8520                 0.6588                 0.7001
 Alpha2 Fr= 1--      0.0015                 0.0618                 0.0181
 Beta2  Fr= 1--      1.6143                 1.3190                 0.5187
 AlphaG Fr= 1--     -0.0090                 0.0186                 0.0063
 Gamma2 Fr= 1--      1.5220                -3.0768                 2.9974
 Delta2 Fr= 1--      0.1021                -2.3499                 2.3030
 Raman1 Fr= 1--      45.475                 48.054                 17.780
 ROA1   Fr= 1--     149.377               -370.572                361.450
 CID1   Fr= 1--       3.285                 -7.712                 20.329
 Raman2 Fr= 1--      19.372                 15.828                  6.224
 ROA2   Fr= 1--      35.711                -55.045                 53.515
 CID2   Fr= 1--       1.843                 -3.478                  8.598
 Raman3 Fr= 1--      38.743                 31.656                 12.448
 ROA3   Fr= 1--     149.377               -370.572                361.450
 CID3   Fr= 1--       3.856                -11.706                 29.037
 RC180  Fr= 1--       0.704                  0.318                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.07   0.01    -0.03  -0.03   0.02     0.04  -0.11  -0.11
     2   6     0.28  -0.02  -0.04    -0.18   0.06  -0.04    -0.05   0.02   0.01
     3   6     0.04  -0.00   0.07     0.19   0.20  -0.12     0.06   0.05   0.02
     4   6    -0.08  -0.09  -0.01    -0.12  -0.03   0.05    -0.11  -0.07  -0.03
     5   8     0.06   0.07  -0.02     0.01   0.03  -0.05     0.09   0.01  -0.01
     6   6    -0.11  -0.06   0.07    -0.02  -0.13   0.05     0.05   0.26  -0.13
     7   8    -0.02   0.01  -0.01    -0.01  -0.02  -0.02    -0.02   0.05   0.05
     8   1    -0.23  -0.25   0.01    -0.04  -0.03   0.01    -0.04  -0.24  -0.11
     9   8    -0.14   0.04  -0.06     0.11  -0.01   0.04     0.01  -0.00   0.00
    10   1     0.34   0.00  -0.05    -0.27   0.32   0.01    -0.01  -0.36  -0.04
    11   1     0.12   0.01   0.06     0.38   0.23  -0.14    -0.08   0.18   0.05
    12   8     0.01   0.01  -0.01    -0.07  -0.11   0.09    -0.01  -0.01   0.01
    13   6     0.03   0.03   0.10     0.06   0.01   0.10     0.03   0.03   0.09
    14   1    -0.08  -0.09  -0.01    -0.21  -0.16   0.04    -0.49  -0.13   0.01
    15   8     0.01   0.04  -0.02     0.04   0.07  -0.06    -0.08  -0.15   0.11
    16   1    -0.16  -0.11   0.08     0.09  -0.20   0.02     0.12   0.32  -0.13
    17   1    -0.00   0.40   0.29    -0.00   0.20   0.18    -0.02   0.05   0.04
    18   1     0.20  -0.12   0.10     0.09  -0.01   0.02     0.01   0.01   0.02
    19   1    -0.03  -0.02   0.03    -0.05  -0.09   0.04    -0.02  -0.02   0.03
    20   8     0.00  -0.00  -0.06    -0.00   0.00  -0.07    -0.00  -0.01  -0.06
    21   1     0.07  -0.07  -0.07     0.11  -0.06   0.03     0.21  -0.10   0.11
    22   1    -0.02  -0.09   0.26     0.07  -0.07   0.21     0.00  -0.06   0.22
    23   1     0.15   0.16  -0.15    -0.13  -0.12   0.16     0.09   0.05  -0.12
    24   1    -0.06  -0.01  -0.18    -0.04  -0.00  -0.15     0.03   0.03   0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1205.5161              1233.3717              1242.8228
 Red. masses --      1.2513                 1.1820                 1.2184
 Frc consts  --      1.0714                 1.0594                 1.1088
 IR Inten    --     12.8344                56.2049                15.4548
 RamAct Fr= 1--      2.8718                 3.3919                 4.1108
  Dep-P Fr= 1--      0.1026                 0.6941                 0.7139
  Dep-U Fr= 1--      0.1862                 0.8195                 0.8331
 Alpha2 Fr= 1--      0.0500                 0.0033                 0.0026
 Beta2  Fr= 1--      0.0891                 0.4633                 0.5708
 AlphaG Fr= 1--     -0.0044                -0.0156                 0.0032
 Gamma2 Fr= 1--     -0.6027                -0.1176                 3.1207
 Delta2 Fr= 1--     -0.3400                -0.8485                 2.3691
 Raman1 Fr= 1--      11.487                 13.568                 16.443
 ROA1   Fr= 1--     -68.740                -38.447                375.403
 CID1   Fr= 1--      -5.984                 -2.834                 22.830
 Raman2 Fr= 1--       1.069                  5.559                  6.849
 ROA2   Fr= 1--     -11.745                  3.965                 55.945
 CID2   Fr= 1--     -10.984                  0.713                  8.168
 Raman3 Fr= 1--       2.139                 11.118                 13.699
 ROA3   Fr= 1--     -68.740                -38.447                375.403
 CID3   Fr= 1--     -32.143                 -3.458                 27.404
 RC180  Fr= 1--      -0.628                  0.639                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.03    -0.04  -0.05   0.06     0.01  -0.01   0.02
     2   6     0.03  -0.03  -0.01     0.02   0.00  -0.03     0.01  -0.03  -0.01
     3   6    -0.05   0.02  -0.05     0.01   0.00  -0.01    -0.05   0.00  -0.05
     4   6    -0.02   0.01   0.07    -0.00   0.02  -0.01    -0.01   0.06  -0.02
     5   8     0.02   0.01  -0.01     0.01  -0.01   0.01     0.01  -0.02   0.03
     6   6     0.01   0.02  -0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.00
     7   8    -0.01   0.01  -0.00     0.02   0.02  -0.00    -0.02  -0.01  -0.01
     8   1     0.44   0.01  -0.05    -0.18   0.17   0.12     0.42   0.01  -0.05
     9   8    -0.01  -0.00  -0.00    -0.00  -0.03   0.01    -0.01   0.02  -0.00
    10   1     0.21   0.29   0.00     0.41   0.47  -0.02    -0.09  -0.06   0.00
    11   1     0.29  -0.23  -0.12     0.06   0.10  -0.01    -0.00   0.15  -0.05
    12   8    -0.00   0.00   0.02     0.00  -0.00   0.01     0.02  -0.01  -0.00
    13   6     0.02  -0.01  -0.04    -0.01  -0.02   0.03     0.00  -0.05   0.03
    14   1     0.03  -0.31   0.04    -0.08   0.16   0.01     0.07   0.23  -0.02
    15   8    -0.01  -0.02   0.01    -0.01  -0.01   0.01     0.01  -0.01  -0.00
    16   1    -0.10   0.23   0.00     0.01   0.10  -0.03    -0.03   0.31   0.02
    17   1    -0.00   0.23   0.18     0.00  -0.28  -0.21    -0.01   0.25   0.20
    18   1    -0.15   0.06  -0.06    -0.39   0.16  -0.18     0.16  -0.06   0.07
    19   1     0.12   0.11  -0.11     0.01   0.00  -0.00    -0.19  -0.17   0.15
    20   8    -0.01   0.00   0.01     0.01  -0.00  -0.01     0.02   0.01   0.00
    21   1     0.14  -0.02   0.15    -0.15   0.04  -0.11    -0.30   0.09  -0.18
    22   1    -0.12   0.07  -0.25     0.14  -0.06   0.17     0.23  -0.06   0.17
    23   1    -0.06  -0.08   0.08    -0.01  -0.01   0.01    -0.11  -0.13   0.13
    24   1     0.07   0.02   0.21    -0.07  -0.02  -0.18    -0.13  -0.03  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.9672              1254.1067              1325.0745
 Red. masses --      1.2738                 1.1653                 1.2323
 Frc consts  --      1.1707                 1.0798                 1.2748
 IR Inten    --     72.0718                14.0199                15.7122
 RamAct Fr= 1--      0.9300                 6.6348                 4.5156
  Dep-P Fr= 1--      0.7497                 0.7490                 0.4316
  Dep-U Fr= 1--      0.8569                 0.8565                 0.6030
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0298
 Beta2  Fr= 1--      0.1328                 0.9471                 0.4538
 AlphaG Fr= 1--      0.0005                -0.0022                -0.0342
 Gamma2 Fr= 1--     -1.3383                 0.0882                 1.3535
 Delta2 Fr= 1--     -1.1982                -0.3902                 1.1708
 Raman1 Fr= 1--       3.720                 26.539                 18.062
 ROA1   Fr= 1--    -166.814                 -4.017                167.404
 CID1   Fr= 1--     -44.841                 -0.151                  9.268
 Raman2 Fr= 1--       1.594                 11.365                  5.445
 ROA2   Fr= 1--     -22.533                  5.239                 23.117
 CID2   Fr= 1--     -14.137                  0.461                  4.245
 Raman3 Fr= 1--       3.188                 22.731                 10.891
 ROA3   Fr= 1--    -166.814                 -4.017                167.404
 CID3   Fr= 1--     -52.327                 -0.177                 15.371
 RC180  Fr= 1--       0.714                  0.713                  0.206
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.01  -0.02   0.03     0.03   0.00   0.02
     2   6     0.02  -0.06  -0.06    -0.01   0.04   0.04    -0.00   0.04  -0.02
     3   6     0.01   0.00   0.03    -0.03   0.01  -0.02     0.01  -0.03  -0.05
     4   6     0.04  -0.06  -0.04     0.02  -0.03  -0.04    -0.01  -0.07   0.00
     5   8    -0.00   0.02   0.00    -0.01   0.01   0.00    -0.02  -0.00  -0.00
     6   6    -0.00   0.00   0.03     0.01  -0.02  -0.02    -0.04   0.02   0.06
     7   8     0.01  -0.00  -0.02    -0.01  -0.01  -0.00    -0.02  -0.01  -0.01
     8   1    -0.13   0.18   0.09     0.34  -0.06  -0.03    -0.00  -0.12   0.01
     9   8    -0.00   0.01   0.01     0.00  -0.02  -0.00    -0.00  -0.01  -0.00
    10   1    -0.11   0.16  -0.03     0.19   0.05   0.02     0.23  -0.18  -0.06
    11   1    -0.20   0.40   0.09    -0.13   0.53   0.03    -0.08   0.00  -0.03
    12   8     0.01  -0.01  -0.01     0.03  -0.01  -0.00    -0.02   0.01   0.02
    13   6    -0.02   0.05  -0.02    -0.01   0.02  -0.02     0.00   0.03  -0.01
    14   1    -0.06  -0.08  -0.03     0.09  -0.01  -0.05     0.13   0.58   0.02
    15   8     0.01  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    16   1    -0.15   0.45   0.07     0.07  -0.36  -0.05     0.48   0.07  -0.00
    17   1     0.00  -0.05  -0.04    -0.00   0.13   0.11    -0.00   0.18   0.13
    18   1     0.12  -0.05   0.05    -0.20   0.08  -0.09    -0.13   0.05  -0.05
    19   1    -0.15  -0.14   0.13    -0.24  -0.21   0.20     0.19   0.17  -0.15
    20   8    -0.01  -0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.00
    21   1     0.21  -0.08   0.10     0.12  -0.05   0.06     0.12  -0.05   0.02
    22   1    -0.14   0.03  -0.05    -0.07   0.02  -0.06    -0.05   0.00  -0.00
    23   1    -0.22  -0.27   0.27     0.16   0.19  -0.20    -0.15  -0.18   0.17
    24   1     0.10   0.02   0.25     0.06   0.00   0.13     0.04   0.01   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1330.9211              1345.7717              1348.2386
 Red. masses --      1.3146                 1.2726                 1.3093
 Frc consts  --      1.3720                 1.3579                 1.4023
 IR Inten    --     77.3813                42.4942                32.0324
 RamAct Fr= 1--      3.2373                 3.5916                 2.4553
  Dep-P Fr= 1--      0.5680                 0.6625                 0.7482
  Dep-U Fr= 1--      0.7245                 0.7970                 0.8560
 Alpha2 Fr= 1--      0.0111                 0.0056                 0.0001
 Beta2  Fr= 1--      0.3909                 0.4771                 0.3503
 AlphaG Fr= 1--     -0.0037                 0.0121                -0.0000
 Gamma2 Fr= 1--     -0.0944                 0.4240                -2.0804
 Delta2 Fr= 1--     -1.3066                 0.7102                -1.9248
 Raman1 Fr= 1--      12.949                 14.367                  9.821
 ROA1   Fr= 1--     -50.869                 63.429               -261.311
 CID1   Fr= 1--      -3.928                  4.415                -26.606
 Raman2 Fr= 1--       4.691                  5.725                  4.203
 ROA2   Fr= 1--       8.188                  4.494                -34.532
 CID2   Fr= 1--       1.745                  0.785                 -8.215
 Raman3 Fr= 1--       9.382                 11.450                  8.407
 ROA3   Fr= 1--     -50.869                 63.429               -261.311
 CID3   Fr= 1--      -5.422                  5.540                -31.083
 RC180  Fr= 1--       0.449                  0.594                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.03     0.09   0.03   0.03    -0.04  -0.00  -0.03
     2   6    -0.00   0.01  -0.02     0.03  -0.04  -0.04     0.01  -0.09   0.04
     3   6    -0.02   0.05   0.06     0.02   0.01   0.00    -0.02   0.01  -0.00
     4   6    -0.10   0.02  -0.02    -0.03  -0.00  -0.01    -0.04  -0.06   0.00
     5   8     0.00  -0.01  -0.00     0.00  -0.00   0.01     0.00   0.00   0.02
     6   6    -0.03   0.02   0.02     0.00   0.00  -0.05    -0.00  -0.00  -0.05
     7   8     0.01   0.01   0.02    -0.02  -0.01  -0.01     0.01   0.01  -0.00
     8   1    -0.19  -0.18  -0.02    -0.24  -0.32   0.04     0.04   0.28  -0.00
     9   8    -0.00  -0.00  -0.00     0.01  -0.02   0.03    -0.00   0.03  -0.01
    10   1     0.12  -0.08  -0.04    -0.42   0.46   0.05    -0.27   0.31   0.11
    11   1     0.22   0.04   0.02    -0.35  -0.20   0.07     0.36   0.09  -0.08
    12   8     0.02  -0.01  -0.02    -0.00   0.00  -0.02    -0.00  -0.00   0.02
    13   6     0.04  -0.05  -0.00     0.01  -0.01   0.00     0.01   0.02  -0.02
    14   1     0.55  -0.20  -0.12     0.13   0.07  -0.02     0.28   0.43  -0.01
    15   8     0.01  -0.01  -0.00    -0.01  -0.00   0.02    -0.02  -0.00   0.04
    16   1     0.31   0.10  -0.01     0.01   0.04  -0.05     0.17   0.04  -0.07
    17   1     0.00  -0.16  -0.12    -0.01   0.28   0.20     0.00  -0.11  -0.08
    18   1    -0.02   0.01  -0.01    -0.23   0.09  -0.09     0.28  -0.12   0.11
    19   1    -0.21  -0.19   0.17    -0.03  -0.02   0.03     0.04   0.03  -0.03
    20   8     0.01   0.03   0.02     0.00   0.01   0.00    -0.01  -0.01  -0.00
    21   1     0.03   0.01   0.12    -0.00   0.00   0.02     0.11  -0.04  -0.01
    22   1    -0.13   0.09  -0.32    -0.05   0.02  -0.09     0.00  -0.01   0.03
    23   1    -0.08  -0.09   0.09     0.08   0.10  -0.10     0.17   0.21  -0.20
    24   1    -0.07  -0.01  -0.21    -0.02  -0.00  -0.06     0.04   0.01   0.12
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3363              1380.3849              1392.3456
 Red. masses --      1.2086                 1.2437                 1.3713
 Frc consts  --      1.3275                 1.3963                 1.5663
 IR Inten    --      4.9224                20.0383                 3.9870
 RamAct Fr= 1--      0.8596                 2.7242                 6.3870
  Dep-P Fr= 1--      0.7108                 0.7354                 0.6312
  Dep-U Fr= 1--      0.8309                 0.8475                 0.7739
 Alpha2 Fr= 1--      0.0006                 0.0007                 0.0138
 Beta2  Fr= 1--      0.1190                 0.3848                 0.8238
 AlphaG Fr= 1--      0.0018                -0.0078                -0.0171
 Gamma2 Fr= 1--      0.5208                -0.1998                 0.4998
 Delta2 Fr= 1--      0.1701                 1.0099                -0.3284
 Raman1 Fr= 1--       3.438                 10.897                 25.548
 ROA1   Fr= 1--      55.445                 13.141                 37.478
 CID1   Fr= 1--      16.126                  1.206                  1.467
 Raman2 Fr= 1--       1.429                  4.617                  9.886
 ROA2   Fr= 1--      11.139                -12.873                 14.623
 CID2   Fr= 1--       7.797                 -2.788                  1.479
 Raman3 Fr= 1--       2.857                  9.235                 19.772
 ROA3   Fr= 1--      55.445                 13.141                 37.478
 CID3   Fr= 1--      19.406                  1.423                  1.896
 RC180  Fr= 1--       0.662                  0.695                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02  -0.00   0.01     0.00   0.06  -0.01
     2   6    -0.02  -0.04   0.04    -0.01  -0.02   0.01     0.03  -0.05  -0.01
     3   6     0.06  -0.00  -0.00    -0.02   0.06   0.02    -0.06  -0.04   0.00
     4   6     0.00   0.02  -0.01     0.01   0.04   0.03     0.11   0.02  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02    -0.02   0.01  -0.03
     6   6    -0.03   0.01  -0.01    -0.04   0.01   0.01    -0.07   0.01   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   1     0.05   0.52   0.11    -0.04  -0.01   0.02    -0.02  -0.33  -0.07
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01    -0.00   0.00   0.01
    10   1     0.15   0.09   0.05     0.11   0.09   0.01    -0.18   0.18   0.03
    11   1    -0.43  -0.09   0.10    -0.09  -0.31   0.02     0.33   0.26  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03    -0.00  -0.00   0.02
    13   6    -0.00  -0.03   0.03    -0.03   0.05  -0.06    -0.02  -0.01   0.03
    14   1    -0.10  -0.19  -0.01     0.09  -0.23   0.00    -0.48  -0.19   0.05
    15   8    -0.00  -0.00   0.02     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.42  -0.02  -0.06     0.40  -0.02  -0.04     0.53  -0.00  -0.07
    17   1    -0.01   0.11   0.08    -0.00   0.01   0.01     0.00  -0.05  -0.04
    18   1     0.20  -0.08   0.08     0.07  -0.03   0.03     0.02  -0.01   0.01
    19   1     0.04   0.03  -0.03    -0.18  -0.16   0.15     0.03   0.03  -0.03
    20   8     0.01   0.02   0.01    -0.02  -0.04  -0.02     0.01   0.01   0.00
    21   1    -0.02   0.02   0.12     0.05  -0.04  -0.16    -0.10   0.04   0.03
    22   1    -0.15   0.06  -0.21     0.40  -0.12   0.44    -0.10   0.02  -0.07
    23   1     0.04   0.06  -0.06    -0.02  -0.01   0.01    -0.01   0.00   0.00
    24   1    -0.08  -0.02  -0.23     0.13   0.02   0.36    -0.03  -0.01  -0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1418.0213              1425.1525              1438.7693
 Red. masses --      1.3809                 1.5621                 1.3875
 Frc consts  --      1.6360                 1.8693                 1.6923
 IR Inten    --     44.7856                 9.0781                 0.3516
 RamAct Fr= 1--      4.9221                 8.5781                 3.0038
  Dep-P Fr= 1--      0.5358                 0.5862                 0.4905
  Dep-U Fr= 1--      0.6977                 0.7391                 0.6582
 Alpha2 Fr= 1--      0.0203                 0.0262                 0.0155
 Beta2  Fr= 1--      0.5724                 1.0567                 0.3295
 AlphaG Fr= 1--      0.0011                 0.0132                -0.0013
 Gamma2 Fr= 1--     -0.2310                -0.0816                -0.4937
 Delta2 Fr= 1--     -0.0697                 0.1623                -0.2876
 Raman1 Fr= 1--      19.688                 34.312                 12.015
 ROA1   Fr= 1--     -24.403                 -2.637                -56.595
 CID1   Fr= 1--      -1.239                 -0.077                 -4.710
 Raman2 Fr= 1--       6.869                 12.680                  3.954
 ROA2   Fr= 1--      -4.986                 -3.257                 -9.547
 CID2   Fr= 1--      -0.726                 -0.257                 -2.414
 Raman3 Fr= 1--      13.737                 25.361                  7.908
 ROA3   Fr= 1--     -24.403                 -2.637                -56.595
 CID3   Fr= 1--      -1.776                 -0.104                 -7.156
 RC180  Fr= 1--       0.395                  0.478                  0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.01   0.00     0.11   0.03  -0.00     0.09  -0.08  -0.03
     2   6     0.07   0.03  -0.01    -0.10  -0.06   0.01     0.05   0.06   0.00
     3   6     0.04  -0.02  -0.02    -0.07   0.02   0.01    -0.06  -0.05   0.02
     4   6    -0.01   0.00   0.03     0.05  -0.04   0.01    -0.01   0.04   0.01
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.01  -0.01   0.00     0.04   0.02  -0.00    -0.01   0.01   0.00
     7   8     0.01   0.01   0.01    -0.02  -0.01  -0.01    -0.03  -0.01  -0.03
     8   1     0.26  -0.04  -0.06    -0.31  -0.06   0.06    -0.34   0.54   0.16
     9   8     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.00  -0.02   0.02
    10   1    -0.31  -0.06   0.01     0.44   0.13  -0.01    -0.30  -0.16   0.01
    11   1    -0.13   0.02   0.02     0.21  -0.06  -0.05     0.32   0.25  -0.05
    12   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    13   6    -0.11  -0.00  -0.05    -0.09  -0.01  -0.02    -0.01  -0.00  -0.02
    14   1     0.12  -0.06   0.01    -0.07   0.11   0.04     0.07  -0.17  -0.02
    15   8    -0.00  -0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.01
    16   1     0.08   0.05  -0.01    -0.22  -0.12   0.03     0.05  -0.06  -0.01
    17   1     0.00  -0.14  -0.11    -0.01   0.18   0.14    -0.01   0.26   0.19
    18   1    -0.13   0.05  -0.06     0.21  -0.08   0.09    -0.22   0.09  -0.09
    19   1     0.06   0.05  -0.05    -0.05  -0.04   0.04     0.06   0.06  -0.05
    20   8     0.03   0.02  -0.00     0.03   0.02   0.00     0.00  -0.00  -0.00
    21   1     0.39  -0.18   0.49     0.27  -0.13   0.39     0.01  -0.00   0.01
    22   1     0.33  -0.03   0.20     0.16   0.01   0.07     0.12  -0.03   0.10
    23   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.03  -0.04   0.03
    24   1    -0.11  -0.01  -0.33    -0.12  -0.01  -0.33     0.01   0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1443.8183              1462.6249              1490.6664
 Red. masses --      1.6902                 1.5834                 1.0849
 Frc consts  --      2.0760                 1.9958                 1.4204
 IR Inten    --     22.3256                13.0668                 6.6834
 RamAct Fr= 1--      4.1343                 5.6299                 7.1621
  Dep-P Fr= 1--      0.7126                 0.6718                 0.7188
  Dep-U Fr= 1--      0.8322                 0.8037                 0.8364
 Alpha2 Fr= 1--      0.0027                 0.0078                 0.0039
 Beta2  Fr= 1--      0.5734                 0.7541                 0.9984
 AlphaG Fr= 1--      0.0238                -0.0287                 0.0072
 Gamma2 Fr= 1--      1.3381                -0.3514                -0.3634
 Delta2 Fr= 1--     -0.9229                 0.9235                -0.4447
 Raman1 Fr= 1--      16.537                 22.520                 28.648
 ROA1   Fr= 1--      98.926                 -4.180                -49.121
 CID1   Fr= 1--       5.982                 -0.186                 -1.715
 Raman2 Fr= 1--       6.881                  9.049                 11.981
 ROA2   Fr= 1--      39.499                -15.821                 -5.165
 CID2   Fr= 1--       5.740                 -1.748                 -0.431
 Raman3 Fr= 1--      13.762                 18.098                 23.962
 ROA3   Fr= 1--      98.926                 -4.180                -49.121
 CID3   Fr= 1--       7.188                 -0.231                 -2.050
 RC180  Fr= 1--       0.664                  0.607                  0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.07  -0.01     0.02  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.05   0.05  -0.00    -0.04   0.08  -0.00     0.00   0.00  -0.00
     3   6    -0.07   0.15   0.02    -0.02   0.02   0.00    -0.00   0.01   0.00
     4   6     0.09  -0.10  -0.01     0.03  -0.01   0.00     0.01  -0.00  -0.00
     5   8    -0.01   0.01  -0.00    -0.01   0.02  -0.00    -0.00  -0.00   0.00
     6   6    -0.01   0.02   0.01     0.01  -0.19  -0.03     0.00   0.00   0.00
     7   8     0.01   0.00  -0.00    -0.00  -0.01  -0.00     0.00  -0.00   0.00
     8   1     0.07   0.24   0.02    -0.08  -0.02   0.01     0.00   0.00   0.00
     9   8     0.00  -0.02   0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1    -0.25  -0.11   0.00     0.14  -0.21  -0.05    -0.00  -0.00  -0.00
    11   1     0.10  -0.52  -0.04     0.04  -0.05  -0.01    -0.01  -0.02   0.00
    12   8     0.03  -0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.00   0.03    -0.01   0.00  -0.00     0.05  -0.00  -0.06
    14   1    -0.30   0.32   0.06    -0.07   0.01   0.02     0.04   0.01  -0.01
    15   8     0.00  -0.01  -0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1     0.03  -0.12   0.00     0.12   0.79  -0.01     0.00  -0.00   0.00
    17   1     0.00  -0.06  -0.03    -0.00   0.04   0.03     0.00  -0.00  -0.00
    18   1    -0.16   0.06  -0.07    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1    -0.27  -0.24   0.22    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8     0.01   0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.01
    21   1     0.02  -0.03   0.04     0.02  -0.01   0.02    -0.24   0.43   0.50
    22   1    -0.17   0.07  -0.18    -0.01   0.00   0.00    -0.42  -0.40   0.39
    23   1    -0.05  -0.06   0.06     0.23   0.30  -0.27    -0.00  -0.00   0.00
    24   1    -0.04  -0.00  -0.11    -0.00  -0.00  -0.01     0.01   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2982.7332              2992.4161              2995.8031
 Red. masses --      1.0832                 1.0815                 1.0808
 Frc consts  --      5.6780                 5.7060                 5.7151
 IR Inten    --     44.1830                13.5551                41.1563
 RamAct Fr= 1--    106.1709                28.2901               357.4927
  Dep-P Fr= 1--      0.1858                 0.5023                 0.1949
  Dep-U Fr= 1--      0.3134                 0.6687                 0.3262
 Alpha2 Fr= 1--      1.4966                 0.1382                 4.9207
 Beta2  Fr= 1--      5.5462                 3.1532                19.4375
 AlphaG Fr= 1--     -1.4099                 0.2726                 0.0522
 Gamma2 Fr= 1--    -10.3195                 9.6429                 9.7131
 Delta2 Fr= 1--     -2.2639                 5.6272                 9.6756
 Raman1 Fr= 1--     424.684                113.160               1429.971
 ROA1   Fr= 1--   -1063.115               1105.791               1242.075
 CID1   Fr= 1--      -2.503                  9.772                  0.869
 Raman2 Fr= 1--      66.555                 37.838                233.250
 ROA2   Fr= 1--    -229.556                186.412                155.710
 CID2   Fr= 1--      -3.449                  4.927                  0.668
 Raman3 Fr= 1--     133.110                 75.676                466.499
 ROA3   Fr= 1--   -1063.115               1105.791               1242.075
 CID3   Fr= 1--      -7.987                 14.612                  2.663
 RC180  Fr= 1--      -0.373                  0.337                 -0.348
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.03    -0.01   0.01  -0.07
     2   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.02
     4   6     0.00   0.00   0.00    -0.01   0.00  -0.07    -0.00   0.00  -0.03
     5   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14    -0.07   0.06  -0.36     0.16  -0.13   0.84
     9   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1    -0.02   0.02  -0.14     0.01  -0.01   0.10    -0.02   0.02  -0.22
    11   1     0.01  -0.00   0.04    -0.02   0.01  -0.10    -0.05   0.01  -0.24
    12   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00    -0.01   0.01   0.01    -0.00   0.00   0.00
    14   1    -0.01  -0.00  -0.05     0.11  -0.06   0.88     0.04  -0.02   0.33
    15   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1     0.13  -0.04   0.97     0.01  -0.00   0.01     0.02  -0.00   0.12
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.03   0.05  -0.02     0.01   0.02  -0.01
    22   1    -0.00   0.01   0.00     0.04  -0.15  -0.09     0.02  -0.07  -0.04
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3017.8672              3021.0939              3028.7420
 Red. masses --      1.0837                 1.0712                 1.0846
 Frc consts  --      5.8152                 5.7603                 5.8619
 IR Inten    --     25.5287                87.5536               156.9988
 RamAct Fr= 1--      8.7386               288.7439                53.8745
  Dep-P Fr= 1--      0.5774                 0.1042                 0.1783
  Dep-U Fr= 1--      0.7321                 0.1887                 0.3026
 Alpha2 Fr= 1--      0.0283                 5.0039                 0.7745
 Beta2  Fr= 1--      1.0662                 9.0812                 2.7174
 AlphaG Fr= 1--      0.1156                 0.9054                 0.0230
 Gamma2 Fr= 1--      2.0560               -10.7587                 2.7994
 Delta2 Fr= 1--      0.7773               -13.8199                 0.7799
 Raman1 Fr= 1--      34.955               1154.976                215.498
 ROA1   Fr= 1--     222.251              -1475.078                293.703
 CID1   Fr= 1--       6.358                 -1.277                  1.363
 Raman2 Fr= 1--      12.795                108.974                 32.608
 ROA2   Fr= 1--      43.126               -147.650                 60.947
 CID2   Fr= 1--       3.371                 -1.355                  1.869
 Raman3 Fr= 1--      25.590                217.948                 65.217
 ROA3   Fr= 1--     222.251              -1475.078                293.703
 CID3   Fr= 1--       8.685                 -6.768                  4.503
 RC180  Fr= 1--       0.464                 -0.623                 -0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.02
     2   6    -0.00   0.01  -0.07     0.00  -0.00   0.01    -0.00   0.00  -0.03
     3   6     0.01  -0.00   0.04     0.00   0.00   0.00    -0.02   0.00  -0.07
     4   6     0.00  -0.00   0.01    -0.00  -0.00  -0.02    -0.00   0.00  -0.01
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1     0.02  -0.02   0.11    -0.00   0.00  -0.01     0.05  -0.04   0.26
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.08  -0.10   0.85    -0.01   0.01  -0.08     0.04  -0.05   0.41
    11   1    -0.09   0.02  -0.45    -0.01   0.00  -0.04     0.17  -0.03   0.82
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.03  -0.05  -0.04     0.00  -0.00  -0.00
    14   1    -0.01   0.00  -0.09     0.03  -0.01   0.20     0.02  -0.01   0.17
    15   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    16   1     0.02  -0.00   0.15     0.00   0.00  -0.01     0.01  -0.00   0.07
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    20   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.01  -0.02   0.01    -0.12  -0.18   0.06    -0.00  -0.00   0.00
    22   1    -0.02   0.06   0.03    -0.24   0.79   0.47    -0.01   0.03   0.02
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.6810              3771.2234              3772.6867
 Red. masses --      1.0943                 1.0657                 1.0660
 Frc consts  --      6.2629                 8.9299                 8.9393
 IR Inten    --     23.6132                69.9457                76.3255
 RamAct Fr= 1--    113.2701                55.2102               117.4497
  Dep-P Fr= 1--      0.3873                 0.1261                 0.1313
  Dep-U Fr= 1--      0.5584                 0.2239                 0.2322
 Alpha2 Fr= 1--      0.8774                 0.9064                 1.9030
 Beta2  Fr= 1--     10.5412                 2.0604                 4.5449
 AlphaG Fr= 1--     -0.1329                -0.2949                -0.5266
 Gamma2 Fr= 1--      3.4081                 2.6279                -8.9965
 Delta2 Fr= 1--      0.5035                 3.8276                -2.7882
 Raman1 Fr= 1--     453.081                220.841                469.799
 ROA1   Fr= 1--     343.287                374.758               -952.888
 CID1   Fr= 1--       0.758                  1.697                 -2.028
 Raman2 Fr= 1--     126.495                 24.725                 54.539
 ROA2   Fr= 1--      77.766                 32.448               -193.611
 CID2   Fr= 1--       0.615                  1.312                 -3.550
 Raman3 Fr= 1--     252.990                 49.449                109.078
 ROA3   Fr= 1--     343.287                374.758               -952.888
 CID3   Fr= 1--       1.357                  7.579                 -8.736
 RC180  Fr= 1--       0.117                 -0.552                 -0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00   0.00
    15   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.02  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.05   0.10   0.04    -0.39   0.85   0.32
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.01  -0.00
    21   1     0.57   0.74  -0.29     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.17   0.11    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.00     0.62   0.70  -0.34    -0.07  -0.08   0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3784.5652              3786.2708              3787.8875
 Red. masses --      1.0661                 1.0660                 1.0664
 Frc consts  --      8.9970                 9.0043                 9.0146
 IR Inten    --     51.3637               110.2080               111.7937
 RamAct Fr= 1--     69.6150               145.0844               213.4015
  Dep-P Fr= 1--      0.4510                 0.1524                 0.1409
  Dep-U Fr= 1--      0.6216                 0.2645                 0.2470
 Alpha2 Fr= 1--      0.4251                 2.2293                 3.3759
 Beta2  Fr= 1--      7.2124                 6.3954                 8.7840
 AlphaG Fr= 1--     -0.3064                 0.3362                 1.0904
 Gamma2 Fr= 1--     -1.8856                -4.6918                12.5541
 Delta2 Fr= 1--     -1.4554                -1.7201                 3.2897
 Raman1 Fr= 1--     278.460                580.338                853.606
 ROA1   Fr= 1--    -227.586               -505.454               1310.462
 CID1   Fr= 1--      -0.817                 -0.871                  1.535
 Raman2 Fr= 1--      86.549                 76.745                105.408
 ROA2   Fr= 1--     -33.610                -98.842                274.980
 CID2   Fr= 1--      -0.388                 -1.288                  2.609
 Raman3 Fr= 1--     173.098                153.490                210.816
 ROA3   Fr= 1--    -227.586               -505.454               1310.462
 CID3   Fr= 1--      -1.315                 -3.293                  6.216
 RC180  Fr= 1--       0.243                 -0.471                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8     0.02  -0.00   0.00    -0.06   0.01  -0.01    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   8    -0.03  -0.05   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   8    -0.00   0.01   0.01    -0.00   0.01   0.00     0.01  -0.05  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.29   0.05  -0.05     0.92  -0.16   0.15     0.08  -0.01   0.01
    18   1     0.50   0.73  -0.32     0.15   0.22  -0.09     0.10   0.14  -0.06
    19   1    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1     0.02  -0.12  -0.09     0.02  -0.11  -0.08    -0.12   0.77   0.59
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1536.043582225.701523399.31971
           X            0.99995  -0.00789  -0.00544
           Y            0.00792   0.99995   0.00641
           Z            0.00538  -0.00646   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05639     0.03892     0.02548
 Rotational constants (GHZ):           1.17493     0.81086     0.53091
 Zero-point vibrational energy     513913.4 (Joules/Mol)
                                  122.82826 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     95.89   123.85   159.37   199.33   263.25
          (Kelvin)            327.19   349.50   376.95   401.08   418.42
                              447.32   458.06   476.18   499.16   519.97
                              591.51   608.70   653.70   743.05   816.15
                              847.39   905.33  1030.72  1301.47  1322.97
                             1447.84  1464.86  1491.22  1508.15  1530.85
                             1548.87  1571.49  1585.55  1598.62  1611.48
                             1652.26  1734.47  1774.55  1788.14  1796.99
                             1804.38  1906.49  1914.90  1936.27  1939.81
                             1964.41  1986.07  2003.27  2040.22  2050.48
                             2070.07  2077.33  2104.39  2144.74  4291.49
                             4305.42  4310.29  4342.04  4346.68  4357.68
                             4484.21  5425.95  5428.05  5445.15  5447.60
                             5449.93
 
 Zero-point correction=                           0.195739 (Hartree/Particle)
 Thermal correction to Energy=                    0.208602
 Thermal correction to Enthalpy=                  0.209546
 Thermal correction to Gibbs Free Energy=         0.157484
 Sum of electronic and zero-point Energies=           -687.329354
 Sum of electronic and thermal Energies=              -687.316491
 Sum of electronic and thermal Enthalpies=            -687.315547
 Sum of electronic and thermal Free Energies=         -687.367609
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.899             48.358            109.573
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.831
 Vibrational            129.122             42.397             37.271
 Vibration     1          0.598              1.970              4.250
 Vibration     2          0.601              1.959              3.747
 Vibration     3          0.607              1.941              3.255
 Vibration     4          0.614              1.915              2.824
 Vibration     5          0.630              1.863              2.298
 Vibration     6          0.651              1.799              1.899
 Vibration     7          0.659              1.774              1.781
 Vibration     8          0.669              1.742              1.648
 Vibration     9          0.679              1.713              1.541
 Vibration    10          0.687              1.691              1.469
 Vibration    11          0.700              1.653              1.358
 Vibration    12          0.705              1.638              1.318
 Vibration    13          0.713              1.614              1.255
 Vibration    14          0.725              1.582              1.180
 Vibration    15          0.736              1.552              1.116
 Vibration    16          0.775              1.446              0.923
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.813              1.351              0.783
 Vibration    19          0.871              1.214              0.618
 Vibration    20          0.923              1.102              0.510
 Vibration    21          0.946              1.055              0.469
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.365147D-72        -72.437532       -166.793582
 Total V=0       0.394647D+18         17.596209         40.516769
 Vib (Bot)       0.315064D-86        -86.501601       -199.177297
 Vib (Bot)    1  0.309602D+01          0.490803          1.130117
 Vib (Bot)    2  0.239006D+01          0.378409          0.871318
 Vib (Bot)    3  0.184871D+01          0.266870          0.614490
 Vib (Bot)    4  0.146828D+01          0.166809          0.384093
 Vib (Bot)    5  0.109663D+01          0.040058          0.092238
 Vib (Bot)    6  0.867066D+00         -0.061948         -0.142640
 Vib (Bot)    7  0.806124D+00         -0.093598         -0.215518
 Vib (Bot)    8  0.740626D+00         -0.130401         -0.300259
 Vib (Bot)    9  0.690133D+00         -0.161067         -0.370870
 Vib (Bot)   10  0.657276D+00         -0.182252         -0.419651
 Vib (Bot)   11  0.607891D+00         -0.216174         -0.497760
 Vib (Bot)   12  0.591033D+00         -0.228388         -0.525884
 Vib (Bot)   13  0.564216D+00         -0.248554         -0.572318
 Vib (Bot)   14  0.532855D+00         -0.273391         -0.629505
 Vib (Bot)   15  0.506693D+00         -0.295255         -0.679850
 Vib (Bot)   16  0.429978D+00         -0.366554         -0.844021
 Vib (Bot)   17  0.414060D+00         -0.382936         -0.881744
 Vib (Bot)   18  0.376108D+00         -0.424688         -0.977879
 Vib (Bot)   19  0.313565D+00         -0.503672         -1.159747
 Vib (Bot)   20  0.272053D+00         -0.565347         -1.301759
 Vib (Bot)   21  0.256401D+00         -0.591080         -1.361012
 Vib (V=0)       0.340518D+04          3.532140          8.133053
 Vib (V=0)    1  0.363613D+01          0.560640          1.290920
 Vib (V=0)    2  0.294180D+01          0.468613          1.079021
 Vib (V=0)    3  0.241514D+01          0.382942          0.881755
 Vib (V=0)    4  0.205108D+01          0.311983          0.718367
 Vib (V=0)    5  0.170523D+01          0.231784          0.533702
 Vib (V=0)    6  0.150090D+01          0.176352          0.406066
 Vib (V=0)    7  0.144860D+01          0.160948          0.370595
 Vib (V=0)    8  0.139360D+01          0.144139          0.331893
 Vib (V=0)    9  0.135222D+01          0.131048          0.301750
 Vib (V=0)   10  0.132584D+01          0.122491          0.282046
 Vib (V=0)   11  0.128710D+01          0.109613          0.252394
 Vib (V=0)   12  0.127416D+01          0.105223          0.242285
 Vib (V=0)   13  0.125388D+01          0.098257          0.226245
 Vib (V=0)   14  0.123071D+01          0.090155          0.207590
 Vib (V=0)   15  0.121186D+01          0.083451          0.192152
 Vib (V=0)   16  0.115946D+01          0.064254          0.147950
 Vib (V=0)   17  0.114919D+01          0.060391          0.139056
 Vib (V=0)   18  0.112567D+01          0.051409          0.118374
 Vib (V=0)   19  0.109019D+01          0.037502          0.086351
 Vib (V=0)   20  0.106922D+01          0.029068          0.066930
 Vib (V=0)   21  0.106191D+01          0.026087          0.060068
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.122033D+07          6.086477         14.014631
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                   3333222                                      11111111111111111111111111111                                 
  77777                   1000999                                      44444433333332222211110000000 99     765554443333322222111    
  88877                   1221998                                      96432198644325443042109764310 20     12861521643119764283186  
  86531                   7918623                                      13495820586154933680122748686 05     69976431171811923739167  
 
  XXXXX                   XXXXXXX                                      XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX     XXXXXXXXXXXXXXXXXXXXXXX  
  XXXXX                   XXXXX X                                        X  X X XXX  X X XXXXXXXXXXX  X      XX X   XXXXXXX  XX      
  XXXXX                    XX X X                                           X    XX  X X XXXXXXXXXXX  X      XX X   XXXXXXX   X      
  XXXXX                    XX                                                     X  X X   XXXXXXXXX  X      X  X   XXXXXXX   X      
  XX XX                    XX                                                     X  X     XXXXXX XX                XX XX X   X      
  XX X                     XX                                                     X  X      XXXXX  X                XX XX X   X      
  XX                       XX                                                               XXXXX  X                XX XX X   X      
  XX                       X                                                                XXXXX  X                XX X  X   X      
  X                        X                                                                XXXXX  X                XX X  X   X      
                           X                                                                 XXXX  X                XX X  X          
                           X                                                                 XXXX  X                XX X             
                           X                                                                 XXXX  X                X  X             
                                                                                             XX X  X                X  X             
                                                                                             XX X  X                X  X             
                                                                                              X X  X                X                
                                                                                              X X  X                X                
                                                                                              X    X                                 
                                                                                              X                                      
                                                                                              X                                      
                                                                                              X                                      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000307   -0.000000093    0.000000390
      2        6          -0.000000317    0.000000353   -0.000001055
      3        6          -0.000000451    0.000000448    0.000001825
      4        6           0.000000505    0.000000437    0.000000144
      5        8          -0.000000121   -0.000000092   -0.000001436
      6        6          -0.000000169   -0.000000199   -0.000002718
      7        8          -0.000000323   -0.000001162    0.000003214
      8        1           0.000000865    0.000001539    0.000001178
      9        8           0.000000130    0.000000662   -0.000001745
     10        1          -0.000001085   -0.000001479   -0.000000983
     11        1          -0.000000577   -0.000001704    0.000001928
     12        8           0.000001124   -0.000000260    0.000003255
     13        6           0.000000226   -0.000000693    0.000000879
     14        1           0.000001075    0.000001915    0.000000535
     15        8          -0.000000516    0.000000502   -0.000004347
     16        1           0.000000755    0.000002012   -0.000002082
     17        1           0.000000491    0.000000196    0.000000910
     18        1          -0.000000414   -0.000000170   -0.000003460
     19        1           0.000000306    0.000000434    0.000004670
     20        8          -0.000000556   -0.000001159    0.000001279
     21        1           0.000000462    0.000000172    0.000002558
     22        1           0.000000108    0.000000610    0.000000274
     23        1          -0.000000213    0.000000550   -0.000005050
     24        1          -0.000001614   -0.000002821   -0.000000165
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000005050 RMS     0.000001561
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124687D+03  0.168938D+01 -0.148603D+01
      2   0.168938D+01  0.117259D+03 -0.251602D+00
      3  -0.148603D+01 -0.251602D+00  0.101563D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.180681D+01 -0.961384D+01 -0.142367D+01
      2   0.126160D+02 -0.321901D+01  0.155399D+02
      3   0.158277D+01 -0.912932D+01  0.143246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.218385D+02 -0.151401D+02  0.115169D+02
      2  -0.249019D+02  0.140160D+02  0.977391D+01
      3   0.306336D+01  0.112401D+01 -0.212908D+02
      4  -0.130202D+02 -0.947822D+01 -0.108862D+02
      5  -0.107308D+02 -0.983635D+01  0.320864D+02
      6  -0.839739D+01 -0.106181D+02 -0.351157D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438850D+01  0.686271D+00  0.318419D-01 -0.214938D+00  0.378691D+01
      2   0.686271D+00  0.444328D+01  0.224408D+00  0.378691D+01 -0.230959D+01
      3   0.318419D-01  0.224408D+00  0.135459D+01  0.729174D+00 -0.195360D+01
                 6             7             8             9            10 
      1   0.729174D+00 -0.410480D+00  0.505694D+00  0.215693D+01  0.632884D+01
      2  -0.195360D+01  0.505694D+00 -0.355433D+01 -0.225705D+01 -0.121224D+01
      3  -0.320948D+00  0.215693D+01 -0.225705D+01  0.113473D+02  0.191869D+00
                11            12            13            14            15 
      1  -0.121224D+01  0.191869D+00 -0.139120D+01 -0.351618D+01 -0.196287D+00
      2  -0.344537D+01 -0.293702D-01 -0.351618D+01 -0.328273D+00  0.116550D+01
      3  -0.293702D-01 -0.388830D+01 -0.196287D+00  0.116550D+01  0.218503D+01
                16            17            18            19            20 
      1   0.166726D+01 -0.523970D+00 -0.189478D+01  0.370613D+01 -0.751810D+00
      2  -0.523970D+00  0.222075D+01  0.139198D+01 -0.751810D+00 -0.370230D+01
      3  -0.189478D+01  0.139198D+01 -0.108984D+02  0.934442D-01  0.634103D+00
                21            22            23            24            25 
      1   0.934442D-01 -0.122940D+01 -0.521187D+01  0.305018D+00  0.105898D+01
      2   0.634103D+00 -0.521187D+01  0.907229D+00  0.213036D+01  0.813247D+00
      3  -0.115041D+01  0.305018D+00  0.213036D+01  0.241403D+01 -0.215833D+01
                26            27            28            29            30 
      1   0.813247D+00 -0.215833D+01 -0.195422D+01  0.282904D+01 -0.488979D+00
      2   0.312360D+01  0.139865D+01  0.282904D+01  0.350381D+01 -0.379581D+00
      3   0.139865D+01 -0.104771D+02 -0.488979D+00 -0.379581D+00  0.628735D+00
                31            32            33            34            35 
      1   0.306806D+01  0.488329D+01  0.880674D+00 -0.278257D+01  0.503820D+00
      2   0.488329D+01 -0.161360D+01 -0.231252D+01  0.503820D+00 -0.322873D+01
      3   0.880674D+00 -0.231252D+01 -0.236825D+01  0.639747D+00 -0.915013D+00
                36            37            38            39            40 
      1   0.639747D+00  0.680412D+01 -0.225771D+01 -0.491932D+00 -0.403295D+01
      2  -0.915013D+00 -0.225771D+01 -0.198158D-01 -0.400178D+00 -0.134788D+01
      3   0.103913D+02 -0.491932D+00 -0.400178D+00 -0.614416D+00 -0.308901D+00
                41            42            43            44            45 
      1  -0.134788D+01 -0.308901D+00  0.307430D+01  0.724868D+00  0.963348D-01
      2  -0.452851D+01  0.898405D+00  0.724868D+00  0.191521D+01 -0.632859D+00
      3   0.898405D+00  0.123743D+01  0.963348D-01 -0.632859D+00 -0.194473D+01
                46            47            48            49            50 
      1  -0.665594D+01 -0.545227D+00  0.543510D+00  0.161454D+01  0.329736D+01
      2  -0.545227D+00  0.112129D+01  0.763833D+00  0.329736D+01 -0.905854D+00
      3   0.543510D+00  0.763833D+00  0.184824D+01 -0.348597D+00 -0.147049D+01
                51            52            53            54            55 
      1  -0.348597D+00 -0.118149D+01  0.247940D-01  0.247076D+01  0.613125D+01
      2  -0.147049D+01  0.247940D-01 -0.251690D+01 -0.599479D+00 -0.572911D+00
      3  -0.331960D+01  0.247076D+01 -0.599479D+00  0.109402D+02  0.948214D+00
                56            57            58            59            60 
      1  -0.572911D+00  0.948214D+00  0.364790D+00 -0.148254D+01 -0.571385D+00
      2   0.911525D+00  0.133316D+00 -0.148254D+01  0.816564D+01  0.225600D+01
      3   0.133316D+00  0.927694D+00 -0.571385D+00  0.225600D+01 -0.207248D+00
                61            62            63            64            65 
      1   0.218495D+01 -0.123674D+01 -0.105102D+01 -0.137709D+00  0.249207D-01
      2  -0.123674D+01  0.393761D+01  0.245395D+01  0.249207D-01 -0.113201D+01
      3  -0.105102D+01  0.245395D+01  0.421516D+00 -0.130640D+01  0.184784D+00
                66            67            68            69            70 
      1  -0.130640D+01  0.275148D+00 -0.883199D+00  0.147306D+00 -0.244724D+01
      2   0.184784D+00 -0.883199D+00  0.963107D+00 -0.116518D+01  0.368896D+00
      3  -0.111667D+01  0.147306D+00 -0.116518D+01  0.100211D+01 -0.132142D+01
                71            72            73            74            75 
      1   0.368896D+00 -0.132142D+01 -0.813192D+01  0.301104D+01 -0.385313D+00
      2  -0.213460D+01  0.142850D+01  0.301104D+01  0.129615D+01 -0.850953D+00
      3   0.142850D+01 -0.923826D+01 -0.385313D+00 -0.850953D+00  0.175148D+01
                76            77            78            79            80 
      1   0.621654D+01  0.483533D+00 -0.894272D+00 -0.362088D+01 -0.867675D+00
      2   0.483533D+00  0.407502D+01 -0.127851D+01 -0.867675D+00 -0.190837D+01
      3  -0.894272D+00 -0.127851D+01  0.916082D+00 -0.102157D+01  0.384442D+00
                81            82            83            84            85 
      1  -0.102157D+01 -0.221058D+00  0.899257D-01  0.128322D+01 -0.126106D+00
      2   0.384442D+00  0.899257D-01  0.756356D+00 -0.303375D-01  0.703075D+00
      3   0.507551D-01  0.128322D+01 -0.303375D-01  0.104140D+01 -0.524630D-01
                86            87            88            89            90 
      1   0.703075D+00 -0.524630D-01  0.227124D+01  0.126634D+00  0.173723D+00
      2  -0.580274D+00  0.102106D+01  0.126634D+00  0.186242D+01 -0.840364D+00
      3   0.102106D+01 -0.120163D+01  0.173723D+00 -0.840364D+00  0.992662D+01
                91            92            93            94            95 
      1   0.528588D+00 -0.284822D+00  0.132766D+01 -0.172905D-01  0.116448D+01
      2  -0.284822D+00  0.125097D+01 -0.283406D-01  0.116448D+01 -0.449584D+00
      3   0.132766D+01 -0.283406D-01  0.105017D+01  0.321909D-01  0.933973D+00
                96            97            98            99           100 
      1   0.321909D-01  0.257645D+01 -0.267683D+00  0.149294D+01  0.499149D+01
      2   0.933973D+00 -0.267683D+00  0.205644D+01 -0.171012D+00  0.256271D+01
      3  -0.205138D+00  0.149294D+01 -0.171012D+00  0.897064D+01 -0.145658D+01
               101           102           103           104           105 
      1   0.256271D+01 -0.145658D+01  0.967890D+00  0.457304D+01 -0.549554D-01
      2   0.538758D+01 -0.201506D-01  0.457304D+01 -0.920777D+00 -0.210663D+01
      3  -0.201506D-01  0.575788D+00 -0.549554D-01 -0.210663D+01 -0.172595D+01
               106           107           108           109           110 
      1  -0.218658D+01 -0.794843D+00  0.173682D+01  0.297061D+01 -0.300143D+01
      2  -0.794843D+00 -0.425761D+01  0.975855D+00 -0.300143D+01 -0.289003D+01
      3   0.173682D+01  0.975855D+00 -0.488062D+00  0.169874D+01  0.106452D+00
               111           112           113           114           115 
      1   0.169874D+01 -0.243797D+01 -0.551292D+01 -0.429351D+00  0.310434D+01
      2   0.106452D+00 -0.551292D+01  0.220125D+01  0.525529D+01 -0.663603D+00
      3  -0.689584D+00 -0.429351D+00  0.525529D+01  0.230228D+01 -0.466548D+01
               116           117           118           119           120 
      1  -0.663603D+00 -0.466548D+01  0.360030D+00 -0.248009D+00 -0.160466D+01
      2   0.527896D+01  0.318698D+01 -0.248009D+00 -0.576704D+00  0.911792D-01
      3   0.318698D+01 -0.925912D+00 -0.160466D+01  0.911792D-01 -0.413876D+00
               121           122           123           124           125 
      1  -0.226759D+00 -0.547122D+00 -0.265788D+00 -0.233710D+01 -0.337456D+00
      2  -0.547122D+00  0.678673D+00 -0.118614D+01 -0.337456D+00 -0.162344D+01
      3  -0.265788D+00 -0.118614D+01  0.647933D+00  0.554100D+00  0.501871D+00
               126           127           128           129           130 
      1   0.554100D+00 -0.289963D+01 -0.239011D+01  0.946253D+00 -0.164351D+01
      2   0.501871D+00 -0.239011D+01 -0.255387D+01  0.314930D-01 -0.230238D+01
      3  -0.107937D+02  0.946253D+00  0.314930D-01 -0.154223D+00  0.200630D+00
               131           132           133           134           135 
      1  -0.230238D+01  0.200630D+00  0.241791D+01  0.939795D+00 -0.127233D+01
      2   0.174892D+01  0.316298D+01  0.939795D+00  0.686811D+01  0.648669D-01
      3   0.316298D+01  0.223896D+01 -0.127233D+01  0.648669D-01  0.121708D+01
               136           137           138           139           140 
      1  -0.419567D+00 -0.113112D+00 -0.160859D+01 -0.870684D-01 -0.749634D+00
      2  -0.113112D+00 -0.425967D+00 -0.376130D+00 -0.749634D+00  0.537378D-02
      3  -0.160859D+01 -0.376130D+00 -0.112614D+01  0.111338D+00 -0.100026D+01
               141           142           143           144           145 
      1   0.111338D+00 -0.293534D+01 -0.606373D+00 -0.191073D+01 -0.849681D+01
      2  -0.100026D+01 -0.606373D+00 -0.169428D+01 -0.639364D+00  0.354272D+01
      3   0.557122D+00 -0.191073D+01 -0.639364D+00 -0.981095D+01  0.310992D+00
               146           147           148           149           150 
      1   0.354272D+01  0.310992D+00  0.232061D+01 -0.163699D+01 -0.154925D+00
      2  -0.393437D+01 -0.502714D+00 -0.163699D+01  0.180843D+01  0.315623D-01
      3  -0.502714D+00 -0.163003D+01 -0.154925D+00  0.315623D-01  0.747475D+00
               151           152           153           154           155 
      1  -0.827807D+00  0.272224D+00 -0.528939D+00 -0.591967D+01 -0.266728D+01
      2   0.272224D+00 -0.417262D+00  0.451677D+00 -0.266728D+01 -0.260511D+01
      3  -0.528939D+00  0.451677D+00  0.367282D+00  0.838382D+00  0.604768D+00
               156           157           158           159           160 
      1   0.838382D+00 -0.527266D+01 -0.276466D+01  0.825731D+00  0.222237D+01
      2   0.604768D+00 -0.276466D+01 -0.363537D+01  0.854120D+00  0.114966D+01
      3  -0.148788D+01  0.825731D+00  0.854120D+00 -0.123887D+01 -0.114418D+01
               161           162           163           164           165 
      1   0.114966D+01 -0.114418D+01 -0.996738D+00  0.660769D+00  0.428565D+00
      2   0.137318D+01 -0.587115D+00  0.660769D+00 -0.235200D+01 -0.209118D+00
      3  -0.587115D+00  0.655969D+00  0.428565D+00 -0.209118D+00 -0.342050D+00
               166           167           168           169           170 
      1   0.208870D+01 -0.545974D-01 -0.274159D+00  0.806046D+00 -0.117436D+00
      2  -0.545974D-01  0.930689D+01  0.772354D+00 -0.117436D+00  0.220042D+01
      3  -0.274159D+00  0.772354D+00  0.181091D+01 -0.896887D-01  0.910553D+00
               171           172           173           174           175 
      1  -0.896887D-01  0.437635D+01  0.102706D+01  0.186842D+01  0.226710D+01
      2   0.910553D+00  0.102706D+01  0.235408D+01 -0.131089D+01  0.236401D+01
      3   0.242267D+00  0.186842D+01 -0.131089D+01  0.262851D+01 -0.673945D+00
               176           177           178           179           180 
      1   0.236401D+01 -0.673945D+00  0.154978D+01 -0.890610D+00  0.448665D+01
      2   0.192595D+01 -0.131886D+00 -0.890610D+00 -0.119684D+01 -0.995573D+00
      3  -0.131886D+00  0.188894D+01  0.448665D+01 -0.995573D+00  0.375620D+01
               181           182           183           184           185 
      1   0.507115D+01  0.279198D+01 -0.155321D+01  0.470313D+01  0.286873D+01
      2   0.279198D+01  0.232482D+01 -0.617229D+00  0.286873D+01  0.391519D+01
      3  -0.155321D+01 -0.617229D+00  0.141974D+01 -0.943171D+00 -0.184954D+01
               186           187           188           189           190 
      1  -0.943171D+00 -0.198958D+01 -0.649405D+00  0.176172D+01  0.184396D+01
      2  -0.184954D+01 -0.649405D+00 -0.149749D+01  0.984618D+00 -0.151373D+01
      3   0.155415D+01  0.176172D+01  0.984618D+00 -0.112105D+01 -0.164607D+01
               191           192           193           194           195 
      1  -0.151373D+01 -0.164607D+01 -0.318987D+01  0.371451D+01  0.157557D+01
      2   0.166840D+01  0.696837D+00  0.371451D+01 -0.675939D+01 -0.369568D+01
      3   0.696837D+00  0.105426D+01  0.157557D+01 -0.369568D+01 -0.383735D+01
               196           197           198           199           200 
      1  -0.245654D+01  0.150790D+01  0.207495D+01 -0.343325D+00 -0.627000D+00
      2   0.150790D+01 -0.325110D+01 -0.298948D+01 -0.627000D+00  0.570398D+00
      3   0.207495D+01 -0.298948D+01 -0.381906D+01 -0.256345D+00  0.210692D+00
               201           202           203           204           205 
      1  -0.256345D+00 -0.150380D+01 -0.874339D+00 -0.565509D-01 -0.897734D+00
      2   0.210692D+00 -0.874339D+00 -0.103231D+02 -0.222653D+01 -0.383870D+00
      3   0.154473D+00 -0.565509D-01 -0.222653D+01 -0.233172D+01 -0.152960D+00
               206           207           208           209           210 
      1  -0.383870D+00 -0.152960D+00 -0.254744D+01 -0.104106D+01  0.286985D+00
      2  -0.557992D+01 -0.233056D+01 -0.104106D+01 -0.195111D+01  0.107313D+01
      3  -0.233056D+01 -0.149504D+01  0.286985D+00  0.107313D+01 -0.182152D+01
               211           212           213           214           215 
      1  -0.251298D+01 -0.954658D+00  0.417118D+00  0.113969D+01  0.402124D+00
      2  -0.954658D+00 -0.334738D+01  0.189536D+01  0.402124D+00  0.202419D+01
      3   0.417118D+00  0.189536D+01 -0.274574D+01 -0.433240D+00 -0.117608D+01
               216 
      1  -0.433240D+00
      2  -0.117608D+01
      3   0.272513D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107562D+00  0.199913D+00 -0.298588D+01 -0.131470D+01  0.989717D+00
      2  -0.391643D-01 -0.402036D+00 -0.723474D+00  0.685405D+00  0.243476D+01
      3  -0.238136D+01  0.244431D+00 -0.232156D+00  0.487740D+01  0.179945D+01
                 6             7             8             9            10 
      1   0.242600D+01 -0.182324D+01  0.511484D+01 -0.934492D+01 -0.487555D+00
      2   0.141015D+01 -0.431960D+01  0.926125D+00 -0.682694D+01 -0.204289D+01
      3  -0.463099D+00  0.125744D+00 -0.260549D+01  0.515669D+00 -0.291642D+01
                11            12            13            14            15 
      1  -0.196539D+01 -0.811077D+00  0.339635D+00  0.499200D+00 -0.183572D+01
      2  -0.119130D+01  0.298174D+01 -0.407027D+00 -0.181784D+01 -0.347498D+01
      3  -0.593281D+01  0.149368D+00 -0.283177D+00  0.427811D+00  0.210559D+01
                16            17            18            19            20 
      1  -0.125695D+01  0.425378D+01 -0.164808D+01  0.198932D+00 -0.315017D+00
      2  -0.701137D+00 -0.199350D+01  0.144620D+02 -0.388789D+00  0.123607D+01
      3  -0.881681D+00  0.296794D+01  0.253413D+01  0.312914D+01 -0.106500D+01
                21            22            23            24            25 
      1   0.340063D+01 -0.148375D+00 -0.232008D+01 -0.201228D+01  0.299974D+01
      2   0.597956D+00 -0.151981D+01  0.942709D+00 -0.745422D+00 -0.451107D+01
      3  -0.686859D+00  0.482248D+01 -0.576387D+01 -0.297833D+01  0.244440D+00
                26            27            28            29            30 
      1   0.144173D+01  0.808089D+01 -0.250175D+01 -0.856106D+00  0.156488D+01
      2   0.478889D+00 -0.446301D+01 -0.742575D+01  0.358898D+01 -0.103969D+01
      3  -0.116319D+01 -0.325718D+01 -0.802861D+01 -0.980133D+01 -0.206291D+00
                31            32            33            34            35 
      1  -0.775835D+00  0.619309D+00  0.303706D+01  0.433840D+00  0.438229D+01
      2   0.205096D+01 -0.159336D+01 -0.476349D+01 -0.433687D+01  0.226080D+00
      3  -0.767602D+01  0.233598D+01  0.407210D+01  0.860054D+00  0.362508D+01
                36            37            38            39            40 
      1  -0.246014D+00  0.163776D+01 -0.123843D+00 -0.227321D+01  0.154509D+01
      2   0.150432D+02  0.398802D+01 -0.685226D+00  0.120580D+02 -0.186489D+01
      3   0.206105D+01 -0.897511D+01 -0.535141D+01  0.720552D-01  0.176583D+02
                41            42            43            44            45 
      1   0.260697D+01 -0.713720D+01  0.204747D+01  0.301303D+01  0.695224D+00
      2  -0.116935D+01  0.222832D+01 -0.632856D+01 -0.140406D+01 -0.292680D+00
      3   0.550114D+01 -0.462996D+00 -0.364606D+01 -0.164064D+01 -0.261109D+00
                46            47            48            49            50 
      1   0.749107D+00 -0.622818D+00  0.281360D+01 -0.944859D+00 -0.395866D+01
      2  -0.354453D+01 -0.137839D+01 -0.836930D+01  0.141444D+00  0.312534D+01
      3   0.772478D+01  0.593678D+01 -0.209342D+00  0.180503D+01 -0.906788D+00
                51            52            53            54            55 
      1  -0.332406D+00  0.671179D+00  0.140256D+01  0.106102D+02 -0.271461D+01
      2   0.209716D+01 -0.695342D+01 -0.104754D+01 -0.118756D+02 -0.668671D+01
      3  -0.250906D+01  0.109345D+01 -0.189047D+01 -0.361779D+01  0.181705D+02
                56            57            58            59            60 
      1   0.924752D+00 -0.835325D+00  0.237020D+01 -0.315592D+01 -0.751491D+01
      2   0.353095D+01  0.198122D+01  0.133858D+01 -0.330182D+01 -0.156245D+01
      3  -0.487973D+01  0.632477D+00  0.531562D+01  0.774620D+01  0.942548D+00
                61            62            63            64            65 
      1   0.763324D+00  0.111406D+01 -0.362160D+01  0.129431D+01  0.402349D+00
      2  -0.435252D+01 -0.167719D+01 -0.172084D+01  0.984995D+00 -0.490361D+00
      3   0.499600D+01  0.313329D+01  0.986559D+00 -0.216753D+00 -0.202054D+01
                66            67            68            69            70 
      1   0.969886D+00  0.123569D+00  0.128358D+01 -0.173702D+01  0.110635D+01
      2   0.223991D+01 -0.147363D-01  0.419727D+00 -0.345454D+00 -0.351857D+01
      3  -0.114862D+01  0.903221D+00 -0.220158D+00 -0.851631D+00 -0.301982D+01
                71            72            73            74            75 
      1   0.352308D+01  0.106767D+02  0.539004D+00 -0.987851D-01  0.869470D+00
      2  -0.671301D+00  0.754517D+01  0.536924D+01  0.307927D+01  0.486838D+01
      3  -0.177670D+01 -0.149751D+00  0.114619D+02 -0.302090D+01 -0.301859D+01
                76            77            78            79            80 
      1  -0.158263D+01  0.108098D+01 -0.237467D+01  0.105122D+01  0.323028D+01
      2   0.271447D+01  0.368098D+01 -0.426639D+01 -0.273491D+01 -0.184576D+01
      3   0.846724D+01  0.174449D+02 -0.338977D+01 -0.272235D+01 -0.695568D+01
                81            82            83            84            85 
      1  -0.280258D-01  0.272737D+00  0.935768D+00  0.268003D+00  0.480728D+00
      2   0.256824D+01 -0.280273D+01  0.107891D+00 -0.109088D+01  0.623149D+00
      3   0.143200D+01  0.211006D+00 -0.947731D-01 -0.230246D+00  0.200971D+01
                86            87            88            89            90 
      1  -0.324957D+00 -0.169094D+01  0.225050D+00  0.414818D+01  0.115608D+01
      2  -0.172117D+01  0.164530D+01 -0.535123D+01  0.104114D+01 -0.143682D+02
      3  -0.702955D+00  0.150712D+01 -0.413839D+00  0.252937D+01 -0.619461D+00
                91            92            93            94            95 
      1  -0.198996D+01  0.944310D+00 -0.135384D+01  0.444874D+00 -0.142389D+01
      2   0.986558D-01  0.542978D+00  0.899750D+00  0.106040D+01  0.317167D-01
      3   0.126899D+01 -0.235114D+01  0.149297D+01  0.263571D+00  0.104214D+01
                96            97            98            99           100 
      1  -0.294288D+00 -0.215425D+01  0.459548D+01 -0.915058D+01  0.240400D+01
      2   0.219701D+00 -0.412547D+01  0.300493D+00  0.499452D+01 -0.207028D+00
      3  -0.645917D+00  0.270020D+01 -0.214928D+01  0.160300D+01  0.936735D+01
               101           102           103           104           105 
      1  -0.237248D+01 -0.440036D+01 -0.107311D+01  0.774895D+01 -0.184425D+01
      2  -0.433343D+00  0.556705D+01  0.131117D+01 -0.119383D+01  0.143271D+01
      3  -0.113675D+02 -0.249861D+01 -0.574212D+00  0.112304D+02  0.346118D+01
               106           107           108           109           110 
      1  -0.285160D+01  0.522048D+01  0.346127D+01  0.386441D+01  0.135791D+01
      2  -0.191820D+01  0.996942D+00 -0.171592D+01  0.101850D+02 -0.306418D+01
      3  -0.554080D+01  0.547138D+01  0.197360D+01  0.803979D+01  0.924222D+01
               111           112           113           114           115 
      1  -0.155985D+01  0.212677D+01  0.201714D+01 -0.406184D+01 -0.223186D+01
      2   0.271290D+00 -0.367892D+01  0.114078D+02  0.709241D+01 -0.103234D+02
      3  -0.136345D+01  0.210556D+02 -0.249335D+01 -0.131160D+02 -0.318135D+00
               116           117           118           119           120 
      1  -0.371647D+01 -0.303356D+01  0.543639D-02  0.126212D+01  0.367114D+00
      2   0.756580D+01 -0.621712D+01 -0.289236D+01 -0.313363D+00 -0.421827D+00
      3  -0.123659D+02 -0.564953D+01  0.374293D+00  0.124925D+00  0.291469D+00
               121           122           123           124           125 
      1   0.291546D+00 -0.149528D+01 -0.267479D+00  0.201115D+00  0.530675D+01
      2  -0.760658D-01 -0.235925D+01  0.103181D+01 -0.647446D+01  0.506206D+00
      3   0.273355D+01 -0.168786D+01  0.183627D+01  0.649185D+00  0.255563D+01
               126           127           128           129           130 
      1  -0.169974D+01  0.137890D+01  0.602754D+00 -0.298741D+01  0.176063D+01
      2  -0.147875D+02 -0.260728D+01 -0.610829D+00  0.529754D+01  0.248683D+00
      3  -0.198985D+01  0.466162D+01 -0.617908D+01 -0.199875D+01  0.602011D+01
               131           132           133           134           135 
      1   0.133844D+02 -0.186750D+01 -0.118711D+01  0.753472D+01  0.715408D+01
      2  -0.562337D+01 -0.135629D+00 -0.101739D+01 -0.637261D+00 -0.358691D+01
      3   0.724861D+01  0.486513D+01 -0.602801D+01  0.100730D+02  0.326181D+01
               136           137           138           139           140 
      1  -0.200986D+01  0.987682D-01 -0.108244D+01  0.750318D+00 -0.140795D+01
      2   0.142713D+01  0.516151D+00  0.198828D+01  0.682006D+00  0.711550D+00
      3   0.845057D+00 -0.197349D+01  0.194496D+01  0.138795D+00  0.163565D+01
               141           142           143           144           145 
      1   0.367755D+00 -0.105959D+01  0.531446D+01 -0.105805D+02  0.123454D+01
      2  -0.126533D+01 -0.367329D+01  0.580194D-01  0.112167D+02  0.549783D+01
      3  -0.113420D+01  0.373215D+01 -0.188777D+01  0.274565D+01 -0.200123D+02
               146           147           148           149           150 
      1  -0.872378D+00  0.381987D+01 -0.214687D+00  0.526501D+00 -0.143390D+01
      2  -0.186299D+01  0.350368D+01 -0.132938D+01  0.849471D+00 -0.121919D+01
      3   0.107563D+01  0.249532D-01  0.363292D+01 -0.233262D+01 -0.599489D+00
               151           152           153           154           155 
      1   0.139148D+01 -0.457271D+00 -0.454138D+00  0.127758D+00  0.957420D-01
      2   0.877151D+00 -0.908424D+00 -0.772367D-01 -0.286668D+01 -0.212106D+01
      3  -0.235459D+01 -0.217044D+00 -0.628162D+00 -0.862784D+01 -0.940619D+01
               156           157           158           159           160 
      1  -0.869268D+00  0.532528D+00 -0.848693D+00 -0.102135D+01 -0.307870D+00
      2   0.484447D+01 -0.301664D+01 -0.309246D+01  0.466353D+01  0.268064D+01
      3   0.215739D+01 -0.810821D+01 -0.149946D+02  0.291569D+01  0.370952D+01
               161           162           163           164           165 
      1   0.748419D+00  0.401721D+00 -0.189732D+01  0.242278D+01  0.184599D+01
      2   0.201429D+01 -0.190953D+01  0.256298D+00 -0.735062D-01 -0.667026D+00
      3   0.500195D+01 -0.185578D+01 -0.614349D+01  0.601197D+01  0.212371D+01
               166           167           168           169           170 
      1   0.141069D+01 -0.736522D+01 -0.607006D+01  0.677163D+00 -0.286714D+01
      2  -0.448457D-01  0.620507D+00  0.149052D+01 -0.103522D+01  0.960054D+00
      3   0.777195D+01 -0.159813D+02 -0.246588D+01  0.346239D+01 -0.428397D+01
               171           172           173           174           175 
      1  -0.148840D+01  0.270836D+01  0.325988D+01  0.215602D+01  0.103606D+01
      2   0.433930D+00 -0.302901D-01 -0.656297D+01  0.145428D+02 -0.517541D+01
      3  -0.183069D+01 -0.885009D+01 -0.114785D+02  0.310683D+01 -0.711899D+01
               176           177           178           179           180 
      1   0.382542D+01 -0.428704D+01  0.867504D+00  0.541308D+01  0.574869D+01
      2  -0.279948D+01  0.539528D+01  0.600771D+01  0.935272D-01  0.136752D+02
      3  -0.663484D+01  0.106032D+01  0.223616D+01  0.207184D+01 -0.906169D+00
               181           182           183           184           185 
      1  -0.269138D+01 -0.210956D+01 -0.252529D+00 -0.232036D+01 -0.396278D+01
      2  -0.115097D+01 -0.254754D+00  0.488244D+01  0.916643D+00 -0.369139D+01
      3  -0.944439D+01 -0.983362D+01  0.268320D+01 -0.844350D+01 -0.152347D+02
               186           187           188           189           190 
      1   0.281667D+00  0.775402D+00  0.297242D+01 -0.878446D+00  0.867004D-01
      2   0.516011D+01  0.229576D+01  0.250078D+01 -0.197286D+01 -0.320875D+01
      3   0.586331D+01  0.237069D+01  0.510613D+01 -0.361991D+01  0.243386D+01
               191           192           193           194           195 
      1  -0.118072D+01  0.998186D+00 -0.156786D+01  0.362372D+01 -0.307081D+01
      2   0.122762D+01  0.290713D+01  0.739391D+00 -0.753875D+01 -0.108803D+02
      3  -0.511252D+01 -0.951951D+00 -0.463382D+01  0.163791D+02  0.874993D+01
               196           197           198           199           200 
      1   0.506648D+00  0.175569D+01 -0.157153D+01 -0.163663D+00  0.100739D+01
      2   0.181646D+01 -0.718131D+01 -0.943290D+01  0.807543D+00 -0.490177D-01
      3  -0.135572D+01  0.799725D+01  0.673902D+01 -0.100732D+01  0.175242D+01
               201           202           203           204           205 
      1   0.917774D+00 -0.404548D+00 -0.870147D+01 -0.756679D+01 -0.391783D+00
      2   0.133255D-01 -0.501584D+00  0.350621D+01  0.329392D+01 -0.651426D+00
      3   0.100631D+01  0.395090D+01 -0.147144D+02 -0.384768D+01  0.239943D+01
               206           207           208           209           210 
      1  -0.719788D+01 -0.493747D+01 -0.215343D+01 -0.299734D+01 -0.580228D+00
      2   0.354312D+01  0.218782D+01  0.653671D+01  0.553678D+01 -0.635124D+01
      3  -0.812080D+01 -0.363242D+01  0.806951D+01  0.685016D+01 -0.301728D+01
               211           212           213           214           215 
      1  -0.212320D+01 -0.311437D+01 -0.473562D+00  0.392637D+00  0.238341D+01
      2   0.511700D+01  0.817125D+01 -0.850225D+01 -0.369345D+01 -0.468822D+01
      3   0.775396D+01  0.971907D+01 -0.565869D+01 -0.229841D+01 -0.547598D+01
               216 
      1   0.574528D+00
      2   0.786386D+01
      3   0.416531D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.755818D+01 -0.803703D+01 -0.102389D+01 -0.544950D+01  0.952792D+01
      2  -0.276099D+01  0.123142D+02  0.168210D+00  0.835351D+01 -0.204279D+02
      3  -0.479719D+01 -0.427716D+01  0.855682D+00 -0.290401D+01  0.109000D+02
      4  -0.138233D+01 -0.749309D+01 -0.264900D+00 -0.124369D+02  0.107964D+02
      5   0.210248D+01 -0.207448D+01 -0.530718D+01 -0.493887D+01  0.173875D+01
      6   0.144093D+01  0.318735D+01  0.739169D+01  0.356681D+01 -0.954389D+01
                 6             7             8             9            10 
      1   0.443286D+01  0.163779D+01  0.539379D+01  0.901172D+01 -0.358291D+02
      2  -0.199355D+01  0.332011D+01 -0.147380D+02  0.449407D+01  0.194682D+02
      3  -0.243931D+01 -0.495790D+01  0.934418D+01 -0.135058D+02  0.163609D+02
      4   0.285898D+01 -0.214608D+01  0.680119D+01  0.824522D+01  0.578524D+01
      5   0.410288D+01 -0.433719D+01  0.501720D+01 -0.215601D+02 -0.226650D+01
      6  -0.121590D+02  0.667765D+01 -0.786113D+01  0.268294D+02 -0.691466D+00
                11            12            13            14            15 
      1  -0.309837D+00  0.297030D+01  0.363367D+01  0.968475D+01 -0.328687D+00
      2   0.347579D+01  0.271839D+01 -0.199857D+01 -0.266275D+01 -0.872886D+00
      3  -0.316595D+01 -0.568869D+01 -0.163510D+01 -0.702200D+01  0.120157D+01
      4  -0.790191D+00 -0.242761D+00  0.895003D+01  0.271003D+00 -0.258648D+01
      5  -0.819637D+00 -0.799680D+00  0.112297D+01 -0.147318D+01 -0.650346D+01
      6  -0.166637D-01  0.238929D+01 -0.127821D+01  0.566108D-01 -0.512336D+00
                16            17            18            19            20 
      1  -0.632438D+01  0.193457D+01  0.180147D+02 -0.432558D+01  0.595764D+01
      2   0.386789D+01 -0.552362D+01  0.564332D+01  0.104181D+01 -0.121581D+02
      3   0.245649D+01  0.358906D+01 -0.236580D+02  0.328378D+01  0.620044D+01
      4   0.310563D+01 -0.354966D+01 -0.382360D+01 -0.380449D+01 -0.106885D+02
      5   0.649028D+01 -0.410524D+01  0.313015D+02  0.112863D+01  0.416571D+01
      6   0.685577D+00  0.150396D+00  0.660145D+01  0.319553D-01  0.420641D+01
                21            22            23            24            25 
      1  -0.240681D+01  0.201785D+01 -0.309904D+01 -0.480826D+01  0.285933D+01
      2   0.152664D+00 -0.834911D+01 -0.163184D+01  0.291443D+01  0.425834D+01
      3   0.225414D+01  0.633126D+01  0.473088D+01  0.189383D+01 -0.711767D+01
      4   0.163089D+01 -0.167989D+02 -0.879436D+01  0.216640D+01  0.490389D+01
      5  -0.650963D+01  0.245189D+01  0.470426D+01 -0.804350D+00 -0.317811D+01
      6  -0.819604D+01  0.339129D+01  0.627754D+01 -0.397482D+01 -0.481489D+01
                26            27            28            29            30 
      1  -0.122662D+01  0.375449D+00 -0.196855D+02  0.101103D+02 -0.758754D+00
      2   0.620143D+01  0.951335D+01  0.100608D+02 -0.112388D+02  0.122210D+01
      3  -0.497481D+01 -0.988880D+01  0.962473D+01  0.112852D+01 -0.463341D+00
      4   0.804565D+01 -0.184361D+01 -0.186917D+01 -0.277341D+01 -0.106003D+01
      5   0.796798D+00 -0.141798D+02 -0.119934D+01 -0.204787D+01 -0.391962D+01
      6   0.988522D+00 -0.208331D+02 -0.541549D+00 -0.197257D+01 -0.179408D+01
                31            32            33            34            35 
      1   0.445810D+01  0.156233D+02 -0.505679D+01 -0.534800D+01 -0.104981D+01
      2  -0.347450D+01 -0.159189D+02 -0.404583D+01  0.199565D+01 -0.983928D+00
      3  -0.983598D+00  0.295610D+00  0.910262D+01  0.335235D+01  0.203374D+01
      4  -0.473901D+01 -0.110612D+02 -0.660366D+01  0.489409D+01 -0.337784D+01
      5   0.126362D+01 -0.952779D+01 -0.101044D+02  0.866556D+00 -0.300782D+01
      6  -0.492489D+01  0.449090D+01 -0.378091D+01 -0.205240D+01  0.892546D+00
                36            37            38            39            40 
      1   0.240049D+02  0.182315D+02 -0.206074D+01  0.197131D+01 -0.521539D+00
      2   0.169305D+02 -0.115828D+02  0.152896D+01 -0.116721D+01  0.170098D+01
      3  -0.409353D+02 -0.664875D+01  0.531782D+00 -0.804102D+00 -0.117944D+01
      4  -0.367491D+01 -0.948025D+01  0.191208D+02  0.308914D+00  0.177796D+02
      5   0.255795D+02  0.203990D+01  0.738273D+00  0.235435D+02 -0.188577D+01
      6   0.321477D+00  0.168593D+01  0.302322D+00  0.666317D+01  0.120662D+01
                41            42            43            44            45 
      1  -0.171141D+02  0.454791D+01  0.399585D+01  0.311645D+01 -0.830399D+01
      2   0.244358D+02  0.193366D+01 -0.502772D+01 -0.368847D+01 -0.555297D+01
      3  -0.732168D+01 -0.648157D+01  0.103187D+01  0.572020D+00  0.138570D+02
      4   0.351673D+00  0.872714D+00 -0.687351D+01 -0.862628D+00 -0.188285D+01
      5   0.212833D+01  0.376053D+01  0.730027D+01 -0.151739D+01  0.122665D+01
      6  -0.118489D+01  0.938991D+01 -0.124619D+01  0.736400D+01  0.407590D+00
                46            47            48            49            50 
      1  -0.162214D+02  0.496525D+01  0.241513D+01 -0.508968D+01 -0.128305D+01
      2   0.135392D+02 -0.717446D+01  0.126206D+01 -0.451808D+01 -0.782550D+01
      3   0.268225D+01  0.220921D+01 -0.367719D+01  0.960776D+01  0.910855D+01
      4   0.680442D+01 -0.206342D+02 -0.258444D+01 -0.208982D+02 -0.113221D+02
      5   0.155179D+01 -0.307677D+00 -0.229595D+02  0.279770D+01  0.250436D+01
      6  -0.124982D+01  0.211261D+01 -0.105452D+02  0.603390D+00  0.692269D+01
                51            52            53            54            55 
      1  -0.468181D+01  0.553436D+01 -0.453902D+01  0.812047D+01 -0.137685D+02
      2  -0.434648D+00  0.384651D+01  0.824659D+01  0.194963D+02  0.300303D+01
      3   0.511646D+01 -0.938087D+01 -0.370757D+01 -0.276168D+02  0.107655D+02
      4   0.339339D+01  0.217158D+01  0.597502D+01 -0.174258D+01  0.268197D+02
      5   0.325775D+01 -0.906800D+01 -0.278250D+00 -0.275846D+02 -0.746939D+00
      6  -0.537886D+01 -0.492401D+01 -0.337634D+00 -0.253983D+02  0.452926D+01
                56            57            58            59            60 
      1   0.452337D+01 -0.183694D+01  0.519530D+01 -0.309875D+02 -0.901962D+01
      2  -0.132064D+01  0.230162D+01 -0.673575D+01  0.499798D+02  0.652112D+01
      3  -0.320273D+01 -0.464676D+00  0.154044D+01 -0.189923D+02  0.249850D+01
      4   0.477393D+00  0.314621D+01  0.103951D+02 -0.219411D+02 -0.619069D+01
      5   0.179183D+00  0.575989D+01  0.278556D+01 -0.441951D+01 -0.222189D+01
      6  -0.146307D+01  0.524278D+00 -0.356435D+01  0.154930D+02  0.160369D+02
                61            62            63            64            65 
      1  -0.242540D+01 -0.116819D+02 -0.118354D+02  0.128128D+01  0.100534D+01
      2  -0.129628D+01  0.173338D+02  0.248050D+01 -0.367106D+01 -0.187192D+01
      3   0.372169D+01 -0.565194D+01  0.935494D+01  0.238978D+01  0.866584D+00
      4   0.105720D+02 -0.118626D+02 -0.669014D+01 -0.168635D+01  0.438401D+01
      5   0.789051D+01 -0.611683D+01 -0.384316D+01  0.469453D+01 -0.136072D+01
      6  -0.451675D+01  0.192184D+02  0.919165D+01 -0.398689D+01  0.402866D+00
                66            67            68            69            70 
      1   0.202786D+01  0.113054D+01 -0.449995D+01  0.353783D+01  0.169475D+01
      2  -0.299818D+01 -0.185248D+01  0.372813D+01 -0.296812D+01 -0.313545D+01
      3   0.970314D+00  0.721940D+00  0.771819D+00 -0.569710D+00  0.144070D+01
      4  -0.365286D+01  0.376445D+01 -0.325458D+01  0.283439D+01 -0.558213D+01
      5   0.993179D+01 -0.194278D+00  0.270034D+01 -0.183270D+01  0.784451D+01
      6  -0.271217D+01  0.109042D+01 -0.441195D+01  0.948545D+01 -0.435795D+01
                71            72            73            74            75 
      1   0.535326D+01 -0.151009D+02  0.552305D+02 -0.181591D+02  0.354052D+01
      2  -0.425524D+01 -0.135607D+02 -0.332067D+02  0.870229D+01 -0.336162D+01
      3  -0.109802D+01  0.286615D+02 -0.220238D+02  0.945683D+01 -0.178908D+00
      4   0.485179D+01 -0.515701D+01 -0.218806D+02  0.434009D+01  0.435001D+01
      5  -0.330559D+01  0.213163D+02  0.769755D+01  0.558208D+01  0.104697D+02
      6   0.890538D+01 -0.279032D+02  0.754881D+00  0.380005D+00 -0.206663D+01
                76            77            78            79            80 
      1  -0.358451D+02 -0.958534D+01  0.489177D+01  0.208424D+02  0.493411D+01
      2   0.196535D+02  0.919101D+01 -0.249626D+01 -0.117751D+02 -0.226015D+01
      3   0.161916D+02  0.394331D+00 -0.239551D+01 -0.906728D+01 -0.267395D+01
      4  -0.123717D+01 -0.231266D+02  0.747529D+01  0.444374D+01  0.973925D+01
      5   0.612750D+01  0.857084D+01 -0.678249D+01  0.124610D+02 -0.372367D+01
      6   0.200500D+01  0.196113D+01  0.560090D+01 -0.121756D+01  0.370254D+01
                81            82            83            84            85 
      1   0.849114D+00  0.108748D+01  0.239953D-01 -0.626347D+01  0.658134D+00
      2  -0.753656D+01 -0.400194D+01  0.137994D+00  0.735009D+00 -0.373103D+00
      3   0.668745D+01  0.291446D+01 -0.161989D+00  0.552846D+01 -0.285031D+00
      4  -0.352084D+01 -0.400571D+00  0.338406D+00 -0.169946D+00  0.339247D+00
      5   0.391148D+01 -0.219318D+01 -0.296019D+00  0.389942D+01 -0.170774D+00
      6   0.564492D+00 -0.719584D+00  0.569085D+00 -0.651318D+00  0.246367D+00
                86            87            88            89            90 
      1  -0.562457D+01  0.222539D+01 -0.896879D+01  0.192693D+01 -0.217112D+02
      2   0.978442D+00  0.535903D-01  0.394166D+01  0.677942D+00 -0.170991D+02
      3   0.464613D+01 -0.227898D+01  0.502713D+01 -0.260487D+01  0.388103D+02
      4   0.160948D+01 -0.259829D+01 -0.975228D+00 -0.468224D+01  0.204729D+01
      5  -0.295337D+01  0.277715D+01  0.475532D+01  0.268018D+01 -0.270954D+02
      6  -0.188984D+01  0.889307D+01 -0.182528D+00  0.532827D+01 -0.567275D+01
                91            92            93            94            95 
      1   0.277590D+01 -0.252084D+01  0.211052D+01 -0.200792D+01 -0.680580D+00
      2  -0.422705D+01  0.336201D+01 -0.194667D+01  0.254770D+01 -0.120912D+01
      3   0.145115D+01 -0.841162D+00 -0.163852D+00 -0.539779D+00  0.188970D+01
      4   0.291989D+00  0.381144D+01  0.117681D+01  0.424911D+01  0.640425D+00
      5   0.404762D+01 -0.102237D+01  0.739298D+01 -0.400887D+00  0.232100D+01
      6   0.216147D+01 -0.114304D+00  0.228925D+01  0.501158D+00  0.123370D+01
                96            97            98            99           100 
      1  -0.141150D+01  0.209949D+01 -0.329264D+01 -0.114573D+02  0.156649D+02
      2   0.213019D+01 -0.434352D+01  0.563551D+01 -0.162496D+02 -0.350446D+01
      3  -0.718691D+00  0.224402D+01 -0.234287D+01  0.277069D+02 -0.121604D+02
      4   0.267354D+01  0.310480D+01  0.388086D+01  0.113074D+01  0.244220D+02
      5   0.158160D+00  0.730144D+01 -0.631378D+00  0.167356D+02 -0.499588D+01
      6   0.538460D+01  0.276784D+01  0.382448D+01  0.183027D+02 -0.668429D+01
               101           102           103           104           105 
      1  -0.992773D+01 -0.555888D+00 -0.337800D+01  0.101883D+02  0.767138D+01
      2   0.238235D+02  0.338999D+01  0.136774D+02 -0.940562D+01 -0.918468D+01
      3  -0.138958D+02 -0.283411D+01 -0.102994D+02 -0.782653D+00  0.151330D+01
      4   0.272432D+02 -0.459566D+01  0.240083D+02  0.152182D+02 -0.451576D+01
      5  -0.152033D+01  0.118024D+02 -0.133020D+01 -0.843057D+01  0.174049D+01
      6  -0.351114D+01  0.770647D+01 -0.276029D+01 -0.120964D+02  0.904787D+01
               106           107           108           109           110 
      1  -0.319302D+01  0.120776D+02 -0.359876D+01  0.107523D+02 -0.186603D+02
      2   0.879922D+00 -0.187742D+02 -0.372603D+01 -0.763535D+01  0.146356D+02
      3   0.231310D+01  0.669665D+01  0.732479D+01 -0.311698D+01  0.402469D+01
      4  -0.938978D+01 -0.115746D+02  0.725751D+01 -0.155932D+02 -0.168499D+02
      5   0.103572D+02  0.415732D+01 -0.393939D+01  0.780276D+01  0.268998D+01
      6   0.883262D+01  0.117396D+02 -0.813617D+01 -0.601981D+00  0.541833D+01
               111           112           113           114           115 
      1   0.891480D+01 -0.198274D+02 -0.215365D+02  0.637907D+01  0.735526D+01
      2  -0.111564D+01  0.152626D+02  0.603924D+01 -0.109344D+02 -0.236908D+01
      3  -0.779916D+01  0.456485D+01  0.154972D+02  0.455531D+01 -0.498618D+01
      4  -0.667847D-01 -0.298127D+02  0.138166D+02  0.294798D+02  0.387521D+00
      5  -0.109821D+02  0.186398D+01  0.340572D+02  0.161056D+02 -0.383046D+02
      6   0.334295D+01  0.113327D+02 -0.127364D+02 -0.126675D+02  0.103636D+02
               116           117           118           119           120 
      1   0.749670D+01 -0.155567D+02  0.147058D+01 -0.437283D+00 -0.530438D+01
      2  -0.645146D+01  0.875742D+01 -0.497464D+01  0.372252D+00  0.891783D+00
      3  -0.104523D+01  0.679932D+01  0.350406D+01  0.650313D-01  0.441259D+01
      4   0.226729D+02  0.199464D+02 -0.384867D+00  0.176989D+01  0.129500D+01
      5   0.189597D+02 -0.567477D+01 -0.342161D+01  0.865146D-01  0.675125D+01
      6  -0.225237D+02 -0.456401D+01  0.694065D+00  0.936168D+00 -0.260518D+00
               121           122           123           124           125 
      1  -0.160812D+00 -0.633971D+01  0.643622D+00 -0.543816D+01  0.136116D+01
      2  -0.343338D+00  0.130275D+01  0.177087D+01  0.591019D+01  0.112803D+01
      3   0.504150D+00  0.503696D+01 -0.241450D+01 -0.472034D+00 -0.248918D+01
      4   0.172188D+01  0.181295D+01 -0.202582D+01  0.142962D+01 -0.276476D+01
      5  -0.514649D+00 -0.278816D+01  0.273146D+01  0.826018D+01  0.146340D+01
      6   0.403698D+00 -0.284086D+00  0.898002D+01  0.679584D+00  0.637821D+01
               126           127           128           129           130 
      1  -0.270995D+02  0.131762D+02 -0.271337D+01 -0.204325D+01  0.330587D+01
      2  -0.231641D+02  0.576223D+00  0.133542D+02  0.244686D+01  0.659204D+01
      3   0.502636D+02 -0.137524D+02 -0.106408D+02 -0.403617D+00 -0.989791D+01
      4   0.172967D+01  0.187255D+02  0.253669D+02 -0.413610D+01  0.227975D+02
      5  -0.251979D+02 -0.287940D+01 -0.311706D+00  0.946608D+01 -0.186017D+01
      6   0.330372D+01 -0.398891D+01 -0.815522D+00  0.610622D+01 -0.126254D+01
               131           132           133           134           135 
      1   0.842852D+01  0.120098D+02 -0.576779D+01  0.199754D+02  0.128854D+00
      2  -0.626111D+01 -0.166688D+02 -0.139951D+00 -0.352395D+02 -0.936096D+01
      3  -0.216741D+01  0.465900D+01  0.590774D+01  0.152641D+02  0.923211D+01
      4   0.103295D+02 -0.839714D+01 -0.116976D+02 -0.213654D+02  0.284922D+01
      5  -0.962839D+01 -0.459412D+00  0.867924D+01 -0.398616D+00 -0.601073D+01
      6  -0.240184D+02  0.479363D+01  0.556418D+01  0.332832D+01 -0.131532D+02
               136           137           138           139           140 
      1   0.202915D+01 -0.313414D+00  0.242755D+01 -0.138938D+01 -0.269133D+01
      2  -0.538516D+01  0.516984D+00 -0.297528D+01  0.240645D+01 -0.960702D-02
      3   0.335601D+01 -0.203570D+00  0.547730D+00 -0.101707D+01  0.270094D+01
      4   0.164482D+01  0.423224D+01  0.379829D+01  0.422231D+01  0.673898D+00
      5   0.610089D+01  0.984637D+00  0.116945D+02 -0.661493D+00  0.299699D+01
      6   0.394856D+01  0.945743D+00  0.307773D+01  0.853134D+00  0.214008D+01
               141           142           143           144           145 
      1  -0.130520D+01  0.946318D+00 -0.293823D+01 -0.176438D+02  0.235638D+02
      2   0.396928D+01 -0.509576D+01  0.375245D+01 -0.219038D+02 -0.110666D+01
      3  -0.266408D+01  0.414945D+01 -0.814218D+00  0.395477D+02 -0.224571D+02
      4   0.231619D+01  0.653634D+01  0.607549D+01  0.306868D+01 -0.423907D+02
      5  -0.287622D+01  0.119199D+02  0.238528D+01  0.266166D+02 -0.479695D+01
      6   0.602794D+01  0.509981D+01  0.728908D+01  0.248157D+02  0.470665D+00
               146           147           148           149           150 
      1  -0.255036D+01  0.130131D+01 -0.337836D+01  0.108090D+01  0.617602D-01
      2  -0.107723D+02 -0.311602D+00 -0.384297D+01  0.618006D+01 -0.615437D+00
      3   0.133226D+02 -0.989712D+00  0.722133D+01 -0.726095D+01  0.553677D+00
      4   0.246369D+02  0.170603D+01  0.151777D+02 -0.101804D+02 -0.529534D+00
      5   0.249348D+01  0.493692D+01  0.163171D+01 -0.459057D+00 -0.240358D+01
      6  -0.234494D+01 -0.664168D+01 -0.107543D+01  0.678665D+00  0.240174D+01
               151           152           153           154           155 
      1   0.241181D+01 -0.216863D+00  0.831191D+00  0.367564D+02  0.166647D+02
      2  -0.228320D+00 -0.107258D+01  0.217378D-01 -0.189587D+02 -0.844804D+01
      3  -0.218349D+01  0.128944D+01 -0.852929D+00 -0.177977D+02 -0.821669D+01
      4  -0.385250D+01  0.189808D+01 -0.333581D+01  0.167062D+02  0.161453D+02
      5   0.383771D+01 -0.182180D+01 -0.442409D+00 -0.685718D+01 -0.427794D+01
      6  -0.315077D+01  0.299319D+01  0.143225D+01 -0.120668D+01 -0.715270D+00
               156           157           158           159           160 
      1  -0.598130D+01  0.313963D+02  0.151374D+02 -0.498013D+01 -0.117628D+02
      2   0.285203D+01 -0.164558D+02 -0.555976D+01  0.265177D+01  0.702513D+01
      3   0.312928D+01 -0.149405D+02 -0.957766D+01  0.232837D+01  0.473766D+01
      4  -0.366315D+01  0.191041D+02  0.212649D+02 -0.575844D+01 -0.662995D+01
      5   0.870614D+01 -0.681338D+01 -0.629207D+01  0.775590D+01  0.849624D+01
      6   0.109171D+01 -0.167290D+01 -0.165387D+01  0.110770D+01  0.149700D+01
               161           162           163           164           165 
      1  -0.611129D+01  0.598062D+01 -0.278187D+01  0.901869D+01  0.712750D+00
      2   0.343452D+01 -0.373251D+01  0.407360D+01 -0.137483D+02 -0.206269D+01
      3   0.267677D+01 -0.224811D+01 -0.129173D+01  0.472957D+01  0.134994D+01
      4  -0.745555D+01  0.390222D+01 -0.304738D+01 -0.967116D+00  0.141770D+01
      5   0.467778D+01 -0.438512D+01  0.458153D+00 -0.125327D+01 -0.175507D+01
      6   0.214165D+01 -0.158721D+01  0.175447D+01 -0.103694D+00 -0.164591D+01
               166           167           168           169           170 
      1   0.518654D+01 -0.305740D+02 -0.227898D+01  0.153577D+01 -0.750610D+01
      2  -0.422466D+01  0.532282D+02  0.619734D+01 -0.124532D+01  0.123322D+02
      3  -0.961883D+00 -0.226543D+02 -0.391836D+01 -0.290455D+00 -0.482611D+01
      4   0.749194D+01  0.146195D+02  0.969268D+00  0.224819D+01  0.368862D+01
      5  -0.144016D+01  0.357950D+01  0.340014D+01  0.498096D+00  0.231715D+01
      6  -0.906739D+00  0.592546D+00  0.777549D+01 -0.803255D+00  0.567787D+01
               171           172           173           174           175 
      1  -0.372768D+01  0.358774D+02  0.107821D+02  0.326826D+01  0.155597D+02
      2   0.480405D+01 -0.213044D+02 -0.904555D+01 -0.649275D+01 -0.118048D+02
      3  -0.107637D+01 -0.145730D+02 -0.173654D+01  0.322449D+01 -0.375497D+01
      4   0.973547D+00 -0.433155D+01  0.167411D+02 -0.768744D+01  0.156806D+02
      5   0.388741D+00  0.177165D+02 -0.462992D+01  0.232169D+02 -0.229275D+01
      6   0.189560D+01 -0.555638D+00  0.931810D+01 -0.806059D+01  0.619315D+01
               176           177           178           179           180 
      1   0.156848D+02 -0.644888D+01  0.835474D+01 -0.108859D+02  0.104690D+02
      2  -0.578744D+01  0.333176D+01 -0.833229D+01  0.440795D+01 -0.231991D+02
      3  -0.989735D+01  0.311712D+01 -0.224508D-01  0.647799D+01  0.127300D+02
      4   0.307549D+01  0.209100D+01 -0.903712D+01 -0.570273D+00 -0.100178D+02
      5   0.341762D+01  0.547234D+01  0.368381D+02 -0.895598D+01  0.299476D+02
      6   0.478011D+01  0.158514D+01 -0.109196D+02  0.130490D+02 -0.184274D+01
               181           182           183           184           185 
      1   0.371092D+02  0.185401D+02 -0.937362D+01  0.299264D+02  0.153621D+02
      2  -0.207678D+02 -0.103641D+02  0.595969D+01 -0.174284D+02 -0.615029D+01
      3  -0.163414D+02 -0.817592D+01  0.341393D+01 -0.124980D+02 -0.921180D+01
      4   0.163632D+02  0.155561D+02 -0.392066D+01  0.179012D+02  0.222640D+02
      5  -0.141399D+02 -0.662057D+01  0.125524D+02 -0.105171D+02 -0.134573D+02
      6  -0.172408D+01 -0.314723D+01  0.428774D+00 -0.360442D+01 -0.294911D+01
               186           187           188           189           190 
      1  -0.627667D+01 -0.105350D+02 -0.366934D+01  0.769536D+01  0.113541D+02
      2   0.562554D+01  0.755071D+01  0.381913D+01 -0.725218D+01 -0.334004D+01
      3   0.651132D+00  0.298427D+01 -0.149792D+00 -0.443175D+00 -0.801408D+01
      4  -0.108501D+02 -0.406547D+01 -0.842459D+01  0.570470D+01 -0.129564D+02
      5   0.113167D+02  0.152310D+02  0.790440D+01 -0.881186D+01 -0.123395D+02
      6   0.328255D+01  0.901431D+00  0.476768D+01 -0.260183D+01  0.581483D+01
               191           192           193           194           195 
      1  -0.735193D+01 -0.829490D+01 -0.121758D+02  0.262171D+01 -0.143372D+01
      2   0.101996D+01  0.388977D+01  0.134332D+01  0.127406D+02  0.482431D+01
      3   0.633196D+01  0.440513D+01  0.108325D+02 -0.153623D+02 -0.339059D+01
      4   0.156750D+02  0.741845D+01  0.271941D+02 -0.398686D+02 -0.220037D+02
      5   0.687354D+01  0.110598D+02  0.134035D+02 -0.236955D+02 -0.245911D+02
      6  -0.457792D+01 -0.431037D+01 -0.922259D+01  0.196870D+02  0.174250D+02
               196           197           198           199           200 
      1  -0.910620D+01 -0.134541D+01  0.182701D+00 -0.148872D+00  0.522993D+01
      2   0.483841D+01  0.290356D+01 -0.209659D+01  0.229788D+01 -0.595982D+01
      3   0.426779D+01 -0.155816D+01  0.191389D+01 -0.214900D+01  0.729888D+00
      4   0.113888D+02 -0.183816D+02 -0.176291D+02  0.249656D+01  0.476360D+01
      5   0.172549D+02 -0.188208D+02 -0.237407D+02  0.629302D+00  0.305854D+00
      6  -0.740148D+01  0.154402D+02  0.156508D+02  0.193026D+01 -0.208961D+01
               201           202           203           204           205 
      1   0.182199D+01  0.206159D+01 -0.315657D+02 -0.816610D+01  0.133304D+01
      2  -0.174799D+01  0.216538D+01  0.579854D+02  0.140403D+02  0.510591D+00
      3  -0.739959D-01 -0.422697D+01 -0.264198D+02 -0.587423D+01 -0.184364D+01
      4   0.166001D+01  0.944679D+01  0.267284D+02  0.573178D+01  0.468578D+01
      5   0.606047D+00  0.838038D+00  0.811372D+01  0.644657D+01  0.173050D+01
      6  -0.144173D+01  0.111017D+01  0.178565D+02  0.130465D+02  0.118242D+01
               206           207           208           209           210 
      1  -0.172111D+02 -0.856942D+01 -0.149091D+02 -0.115269D+02  0.837951D+01
      2   0.282900D+02  0.123034D+02  0.924263D+01  0.773197D+01 -0.281985D+01
      3  -0.110789D+02 -0.373399D+01  0.566648D+01  0.379496D+01 -0.555966D+01
      4   0.134251D+02  0.581468D+01  0.837688D+00 -0.714686D+01  0.388482D+01
      5   0.757815D+01  0.438747D+01 -0.161973D+01  0.219165D+01 -0.799422D+01
      6   0.170310D+02  0.102999D+02 -0.326639D+01 -0.690705D+01  0.731475D+01
               211           212           213           214           215 
      1  -0.164327D+02 -0.159310D+02  0.996273D+01  0.925930D+01  0.827205D+01
      2   0.995116D+01  0.134057D+02 -0.608510D+01 -0.396562D+01 -0.500823D+01
      3   0.648156D+01  0.252537D+01 -0.387763D+01 -0.529368D+01 -0.326381D+01
      4   0.385548D+00 -0.122340D+02  0.771084D+01  0.377364D+00  0.781771D+01
      5  -0.126603D+01  0.629205D+01 -0.104461D+02  0.156155D+01 -0.356467D+01
      6  -0.371760D+01 -0.116534D+02  0.977169D+01  0.302502D+01  0.777111D+01
               216 
      1  -0.876785D+01
      2   0.228102D+01
      3   0.648683D+01
      4  -0.335174D+01
      5   0.956846D+01
      6  -0.817587D+01
 Leave Link  716 at Wed Mar 16 19:50:18 2022, MaxMem=  5368709120 cpu:               3.4 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.124687D+03  0.168938D+01 -0.148603D+01
      2   0.168938D+01  0.117259D+03 -0.251602D+00
      3  -0.148603D+01 -0.251602D+00  0.101563D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.180681D+01 -0.961384D+01 -0.142367D+01
      2   0.126160D+02 -0.321901D+01  0.155399D+02
      3   0.158277D+01 -0.912932D+01  0.143246D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.218385D+02 -0.151401D+02  0.115169D+02
      2  -0.249019D+02  0.140160D+02  0.977391D+01
      3   0.306336D+01  0.112401D+01 -0.212908D+02
      4  -0.130202D+02 -0.947822D+01 -0.108862D+02
      5  -0.107308D+02 -0.983635D+01  0.320864D+02
      6  -0.839739D+01 -0.106181D+02 -0.351157D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.438850D+01  0.686271D+00  0.318419D-01 -0.214938D+00  0.378691D+01
      2   0.686271D+00  0.444328D+01  0.224408D+00  0.378691D+01 -0.230959D+01
      3   0.318419D-01  0.224408D+00  0.135459D+01  0.729174D+00 -0.195360D+01
                 6             7             8             9            10 
      1   0.729174D+00 -0.410480D+00  0.505694D+00  0.215693D+01  0.632884D+01
      2  -0.195360D+01  0.505694D+00 -0.355433D+01 -0.225705D+01 -0.121224D+01
      3  -0.320948D+00  0.215693D+01 -0.225705D+01  0.113473D+02  0.191869D+00
                11            12            13            14            15 
      1  -0.121224D+01  0.191869D+00 -0.139120D+01 -0.351618D+01 -0.196287D+00
      2  -0.344537D+01 -0.293702D-01 -0.351618D+01 -0.328273D+00  0.116550D+01
      3  -0.293702D-01 -0.388830D+01 -0.196287D+00  0.116550D+01  0.218503D+01
                16            17            18            19            20 
      1   0.166726D+01 -0.523970D+00 -0.189478D+01  0.370613D+01 -0.751810D+00
      2  -0.523970D+00  0.222075D+01  0.139198D+01 -0.751810D+00 -0.370230D+01
      3  -0.189478D+01  0.139198D+01 -0.108984D+02  0.934442D-01  0.634103D+00
                21            22            23            24            25 
      1   0.934442D-01 -0.122940D+01 -0.521187D+01  0.305018D+00  0.105898D+01
      2   0.634103D+00 -0.521187D+01  0.907229D+00  0.213036D+01  0.813247D+00
      3  -0.115041D+01  0.305018D+00  0.213036D+01  0.241403D+01 -0.215833D+01
                26            27            28            29            30 
      1   0.813247D+00 -0.215833D+01 -0.195422D+01  0.282904D+01 -0.488979D+00
      2   0.312360D+01  0.139865D+01  0.282904D+01  0.350381D+01 -0.379581D+00
      3   0.139865D+01 -0.104771D+02 -0.488979D+00 -0.379581D+00  0.628735D+00
                31            32            33            34            35 
      1   0.306806D+01  0.488329D+01  0.880674D+00 -0.278257D+01  0.503820D+00
      2   0.488329D+01 -0.161360D+01 -0.231252D+01  0.503820D+00 -0.322873D+01
      3   0.880674D+00 -0.231252D+01 -0.236825D+01  0.639747D+00 -0.915013D+00
                36            37            38            39            40 
      1   0.639747D+00  0.680412D+01 -0.225771D+01 -0.491932D+00 -0.403295D+01
      2  -0.915013D+00 -0.225771D+01 -0.198158D-01 -0.400178D+00 -0.134788D+01
      3   0.103913D+02 -0.491932D+00 -0.400178D+00 -0.614416D+00 -0.308901D+00
                41            42            43            44            45 
      1  -0.134788D+01 -0.308901D+00  0.307430D+01  0.724868D+00  0.963348D-01
      2  -0.452851D+01  0.898405D+00  0.724868D+00  0.191521D+01 -0.632859D+00
      3   0.898405D+00  0.123743D+01  0.963348D-01 -0.632859D+00 -0.194473D+01
                46            47            48            49            50 
      1  -0.665594D+01 -0.545227D+00  0.543510D+00  0.161454D+01  0.329736D+01
      2  -0.545227D+00  0.112129D+01  0.763833D+00  0.329736D+01 -0.905854D+00
      3   0.543510D+00  0.763833D+00  0.184824D+01 -0.348597D+00 -0.147049D+01
                51            52            53            54            55 
      1  -0.348597D+00 -0.118149D+01  0.247940D-01  0.247076D+01  0.613125D+01
      2  -0.147049D+01  0.247940D-01 -0.251690D+01 -0.599479D+00 -0.572911D+00
      3  -0.331960D+01  0.247076D+01 -0.599479D+00  0.109402D+02  0.948214D+00
                56            57            58            59            60 
      1  -0.572911D+00  0.948214D+00  0.364790D+00 -0.148254D+01 -0.571385D+00
      2   0.911525D+00  0.133316D+00 -0.148254D+01  0.816564D+01  0.225600D+01
      3   0.133316D+00  0.927694D+00 -0.571385D+00  0.225600D+01 -0.207248D+00
                61            62            63            64            65 
      1   0.218495D+01 -0.123674D+01 -0.105102D+01 -0.137709D+00  0.249207D-01
      2  -0.123674D+01  0.393761D+01  0.245395D+01  0.249207D-01 -0.113201D+01
      3  -0.105102D+01  0.245395D+01  0.421516D+00 -0.130640D+01  0.184784D+00
                66            67            68            69            70 
      1  -0.130640D+01  0.275148D+00 -0.883199D+00  0.147306D+00 -0.244724D+01
      2   0.184784D+00 -0.883199D+00  0.963107D+00 -0.116518D+01  0.368896D+00
      3  -0.111667D+01  0.147306D+00 -0.116518D+01  0.100211D+01 -0.132142D+01
                71            72            73            74            75 
      1   0.368896D+00 -0.132142D+01 -0.813192D+01  0.301104D+01 -0.385313D+00
      2  -0.213460D+01  0.142850D+01  0.301104D+01  0.129615D+01 -0.850953D+00
      3   0.142850D+01 -0.923826D+01 -0.385313D+00 -0.850953D+00  0.175148D+01
                76            77            78            79            80 
      1   0.621654D+01  0.483533D+00 -0.894272D+00 -0.362088D+01 -0.867675D+00
      2   0.483533D+00  0.407502D+01 -0.127851D+01 -0.867675D+00 -0.190837D+01
      3  -0.894272D+00 -0.127851D+01  0.916082D+00 -0.102157D+01  0.384442D+00
                81            82            83            84            85 
      1  -0.102157D+01 -0.221058D+00  0.899257D-01  0.128322D+01 -0.126106D+00
      2   0.384442D+00  0.899257D-01  0.756356D+00 -0.303375D-01  0.703075D+00
      3   0.507551D-01  0.128322D+01 -0.303375D-01  0.104140D+01 -0.524630D-01
                86            87            88            89            90 
      1   0.703075D+00 -0.524630D-01  0.227124D+01  0.126634D+00  0.173723D+00
      2  -0.580274D+00  0.102106D+01  0.126634D+00  0.186242D+01 -0.840364D+00
      3   0.102106D+01 -0.120163D+01  0.173723D+00 -0.840364D+00  0.992662D+01
                91            92            93            94            95 
      1   0.528588D+00 -0.284822D+00  0.132766D+01 -0.172905D-01  0.116448D+01
      2  -0.284822D+00  0.125097D+01 -0.283406D-01  0.116448D+01 -0.449584D+00
      3   0.132766D+01 -0.283406D-01  0.105017D+01  0.321909D-01  0.933973D+00
                96            97            98            99           100 
      1   0.321909D-01  0.257645D+01 -0.267683D+00  0.149294D+01  0.499149D+01
      2   0.933973D+00 -0.267683D+00  0.205644D+01 -0.171012D+00  0.256271D+01
      3  -0.205138D+00  0.149294D+01 -0.171012D+00  0.897064D+01 -0.145658D+01
               101           102           103           104           105 
      1   0.256271D+01 -0.145658D+01  0.967890D+00  0.457304D+01 -0.549554D-01
      2   0.538758D+01 -0.201506D-01  0.457304D+01 -0.920777D+00 -0.210663D+01
      3  -0.201506D-01  0.575788D+00 -0.549554D-01 -0.210663D+01 -0.172595D+01
               106           107           108           109           110 
      1  -0.218658D+01 -0.794843D+00  0.173682D+01  0.297061D+01 -0.300143D+01
      2  -0.794843D+00 -0.425761D+01  0.975855D+00 -0.300143D+01 -0.289003D+01
      3   0.173682D+01  0.975855D+00 -0.488062D+00  0.169874D+01  0.106452D+00
               111           112           113           114           115 
      1   0.169874D+01 -0.243797D+01 -0.551292D+01 -0.429351D+00  0.310434D+01
      2   0.106452D+00 -0.551292D+01  0.220125D+01  0.525529D+01 -0.663603D+00
      3  -0.689584D+00 -0.429351D+00  0.525529D+01  0.230228D+01 -0.466548D+01
               116           117           118           119           120 
      1  -0.663603D+00 -0.466548D+01  0.360030D+00 -0.248009D+00 -0.160466D+01
      2   0.527896D+01  0.318698D+01 -0.248009D+00 -0.576704D+00  0.911792D-01
      3   0.318698D+01 -0.925912D+00 -0.160466D+01  0.911792D-01 -0.413876D+00
               121           122           123           124           125 
      1  -0.226759D+00 -0.547122D+00 -0.265788D+00 -0.233710D+01 -0.337456D+00
      2  -0.547122D+00  0.678673D+00 -0.118614D+01 -0.337456D+00 -0.162344D+01
      3  -0.265788D+00 -0.118614D+01  0.647933D+00  0.554100D+00  0.501871D+00
               126           127           128           129           130 
      1   0.554100D+00 -0.289963D+01 -0.239011D+01  0.946253D+00 -0.164351D+01
      2   0.501871D+00 -0.239011D+01 -0.255387D+01  0.314930D-01 -0.230238D+01
      3  -0.107937D+02  0.946253D+00  0.314930D-01 -0.154223D+00  0.200630D+00
               131           132           133           134           135 
      1  -0.230238D+01  0.200630D+00  0.241791D+01  0.939795D+00 -0.127233D+01
      2   0.174892D+01  0.316298D+01  0.939795D+00  0.686811D+01  0.648669D-01
      3   0.316298D+01  0.223896D+01 -0.127233D+01  0.648669D-01  0.121708D+01
               136           137           138           139           140 
      1  -0.419567D+00 -0.113112D+00 -0.160859D+01 -0.870684D-01 -0.749634D+00
      2  -0.113112D+00 -0.425967D+00 -0.376130D+00 -0.749634D+00  0.537378D-02
      3  -0.160859D+01 -0.376130D+00 -0.112614D+01  0.111338D+00 -0.100026D+01
               141           142           143           144           145 
      1   0.111338D+00 -0.293534D+01 -0.606373D+00 -0.191073D+01 -0.849681D+01
      2  -0.100026D+01 -0.606373D+00 -0.169428D+01 -0.639364D+00  0.354272D+01
      3   0.557122D+00 -0.191073D+01 -0.639364D+00 -0.981095D+01  0.310992D+00
               146           147           148           149           150 
      1   0.354272D+01  0.310992D+00  0.232061D+01 -0.163699D+01 -0.154925D+00
      2  -0.393437D+01 -0.502714D+00 -0.163699D+01  0.180843D+01  0.315623D-01
      3  -0.502714D+00 -0.163003D+01 -0.154925D+00  0.315623D-01  0.747475D+00
               151           152           153           154           155 
      1  -0.827807D+00  0.272224D+00 -0.528939D+00 -0.591967D+01 -0.266728D+01
      2   0.272224D+00 -0.417262D+00  0.451677D+00 -0.266728D+01 -0.260511D+01
      3  -0.528939D+00  0.451677D+00  0.367282D+00  0.838382D+00  0.604768D+00
               156           157           158           159           160 
      1   0.838382D+00 -0.527266D+01 -0.276466D+01  0.825731D+00  0.222237D+01
      2   0.604768D+00 -0.276466D+01 -0.363537D+01  0.854120D+00  0.114966D+01
      3  -0.148788D+01  0.825731D+00  0.854120D+00 -0.123887D+01 -0.114418D+01
               161           162           163           164           165 
      1   0.114966D+01 -0.114418D+01 -0.996738D+00  0.660769D+00  0.428565D+00
      2   0.137318D+01 -0.587115D+00  0.660769D+00 -0.235200D+01 -0.209118D+00
      3  -0.587115D+00  0.655969D+00  0.428565D+00 -0.209118D+00 -0.342050D+00
               166           167           168           169           170 
      1   0.208870D+01 -0.545974D-01 -0.274159D+00  0.806046D+00 -0.117436D+00
      2  -0.545974D-01  0.930689D+01  0.772354D+00 -0.117436D+00  0.220042D+01
      3  -0.274159D+00  0.772354D+00  0.181091D+01 -0.896887D-01  0.910553D+00
               171           172           173           174           175 
      1  -0.896887D-01  0.437635D+01  0.102706D+01  0.186842D+01  0.226710D+01
      2   0.910553D+00  0.102706D+01  0.235408D+01 -0.131089D+01  0.236401D+01
      3   0.242267D+00  0.186842D+01 -0.131089D+01  0.262851D+01 -0.673945D+00
               176           177           178           179           180 
      1   0.236401D+01 -0.673945D+00  0.154978D+01 -0.890610D+00  0.448665D+01
      2   0.192595D+01 -0.131886D+00 -0.890610D+00 -0.119684D+01 -0.995573D+00
      3  -0.131886D+00  0.188894D+01  0.448665D+01 -0.995573D+00  0.375620D+01
               181           182           183           184           185 
      1   0.507115D+01  0.279198D+01 -0.155321D+01  0.470313D+01  0.286873D+01
      2   0.279198D+01  0.232482D+01 -0.617229D+00  0.286873D+01  0.391519D+01
      3  -0.155321D+01 -0.617229D+00  0.141974D+01 -0.943171D+00 -0.184954D+01
               186           187           188           189           190 
      1  -0.943171D+00 -0.198958D+01 -0.649405D+00  0.176172D+01  0.184396D+01
      2  -0.184954D+01 -0.649405D+00 -0.149749D+01  0.984618D+00 -0.151373D+01
      3   0.155415D+01  0.176172D+01  0.984618D+00 -0.112105D+01 -0.164607D+01
               191           192           193           194           195 
      1  -0.151373D+01 -0.164607D+01 -0.318987D+01  0.371451D+01  0.157557D+01
      2   0.166840D+01  0.696837D+00  0.371451D+01 -0.675939D+01 -0.369568D+01
      3   0.696837D+00  0.105426D+01  0.157557D+01 -0.369568D+01 -0.383735D+01
               196           197           198           199           200 
      1  -0.245654D+01  0.150790D+01  0.207495D+01 -0.343325D+00 -0.627000D+00
      2   0.150790D+01 -0.325110D+01 -0.298948D+01 -0.627000D+00  0.570398D+00
      3   0.207495D+01 -0.298948D+01 -0.381906D+01 -0.256345D+00  0.210692D+00
               201           202           203           204           205 
      1  -0.256345D+00 -0.150380D+01 -0.874339D+00 -0.565509D-01 -0.897734D+00
      2   0.210692D+00 -0.874339D+00 -0.103231D+02 -0.222653D+01 -0.383870D+00
      3   0.154473D+00 -0.565509D-01 -0.222653D+01 -0.233172D+01 -0.152960D+00
               206           207           208           209           210 
      1  -0.383870D+00 -0.152960D+00 -0.254744D+01 -0.104106D+01  0.286985D+00
      2  -0.557992D+01 -0.233056D+01 -0.104106D+01 -0.195111D+01  0.107313D+01
      3  -0.233056D+01 -0.149504D+01  0.286985D+00  0.107313D+01 -0.182152D+01
               211           212           213           214           215 
      1  -0.251298D+01 -0.954658D+00  0.417118D+00  0.113969D+01  0.402124D+00
      2  -0.954658D+00 -0.334738D+01  0.189536D+01  0.402124D+00  0.202419D+01
      3   0.417118D+00  0.189536D+01 -0.274574D+01 -0.433240D+00 -0.117608D+01
               216 
      1  -0.433240D+00
      2  -0.117608D+01
      3   0.272513D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.107562D+00  0.199913D+00 -0.298588D+01 -0.131470D+01  0.989717D+00
      2  -0.391643D-01 -0.402036D+00 -0.723474D+00  0.685405D+00  0.243476D+01
      3  -0.238136D+01  0.244431D+00 -0.232156D+00  0.487740D+01  0.179945D+01
                 6             7             8             9            10 
      1   0.242600D+01 -0.182324D+01  0.511484D+01 -0.934492D+01 -0.487555D+00
      2   0.141015D+01 -0.431960D+01  0.926125D+00 -0.682694D+01 -0.204289D+01
      3  -0.463099D+00  0.125744D+00 -0.260549D+01  0.515669D+00 -0.291642D+01
                11            12            13            14            15 
      1  -0.196539D+01 -0.811077D+00  0.339635D+00  0.499200D+00 -0.183572D+01
      2  -0.119130D+01  0.298174D+01 -0.407027D+00 -0.181784D+01 -0.347498D+01
      3  -0.593281D+01  0.149368D+00 -0.283177D+00  0.427811D+00  0.210559D+01
                16            17            18            19            20 
      1  -0.125695D+01  0.425378D+01 -0.164808D+01  0.198932D+00 -0.315017D+00
      2  -0.701137D+00 -0.199350D+01  0.144620D+02 -0.388789D+00  0.123607D+01
      3  -0.881681D+00  0.296794D+01  0.253413D+01  0.312914D+01 -0.106500D+01
                21            22            23            24            25 
      1   0.340063D+01 -0.148375D+00 -0.232008D+01 -0.201228D+01  0.299974D+01
      2   0.597956D+00 -0.151981D+01  0.942709D+00 -0.745422D+00 -0.451107D+01
      3  -0.686859D+00  0.482248D+01 -0.576387D+01 -0.297833D+01  0.244440D+00
                26            27            28            29            30 
      1   0.144173D+01  0.808089D+01 -0.250175D+01 -0.856106D+00  0.156488D+01
      2   0.478889D+00 -0.446301D+01 -0.742575D+01  0.358898D+01 -0.103969D+01
      3  -0.116319D+01 -0.325718D+01 -0.802861D+01 -0.980133D+01 -0.206291D+00
                31            32            33            34            35 
      1  -0.775835D+00  0.619309D+00  0.303706D+01  0.433840D+00  0.438229D+01
      2   0.205096D+01 -0.159336D+01 -0.476349D+01 -0.433687D+01  0.226080D+00
      3  -0.767602D+01  0.233598D+01  0.407210D+01  0.860054D+00  0.362508D+01
                36            37            38            39            40 
      1  -0.246014D+00  0.163776D+01 -0.123843D+00 -0.227321D+01  0.154509D+01
      2   0.150432D+02  0.398802D+01 -0.685226D+00  0.120580D+02 -0.186489D+01
      3   0.206105D+01 -0.897511D+01 -0.535141D+01  0.720552D-01  0.176583D+02
                41            42            43            44            45 
      1   0.260697D+01 -0.713720D+01  0.204747D+01  0.301303D+01  0.695224D+00
      2  -0.116935D+01  0.222832D+01 -0.632856D+01 -0.140406D+01 -0.292680D+00
      3   0.550114D+01 -0.462996D+00 -0.364606D+01 -0.164064D+01 -0.261109D+00
                46            47            48            49            50 
      1   0.749107D+00 -0.622818D+00  0.281360D+01 -0.944859D+00 -0.395866D+01
      2  -0.354453D+01 -0.137839D+01 -0.836930D+01  0.141444D+00  0.312534D+01
      3   0.772478D+01  0.593678D+01 -0.209342D+00  0.180503D+01 -0.906788D+00
                51            52            53            54            55 
      1  -0.332406D+00  0.671179D+00  0.140256D+01  0.106102D+02 -0.271461D+01
      2   0.209716D+01 -0.695342D+01 -0.104754D+01 -0.118756D+02 -0.668671D+01
      3  -0.250906D+01  0.109345D+01 -0.189047D+01 -0.361779D+01  0.181705D+02
                56            57            58            59            60 
      1   0.924752D+00 -0.835325D+00  0.237020D+01 -0.315592D+01 -0.751491D+01
      2   0.353095D+01  0.198122D+01  0.133858D+01 -0.330182D+01 -0.156245D+01
      3  -0.487973D+01  0.632477D+00  0.531562D+01  0.774620D+01  0.942548D+00
                61            62            63            64            65 
      1   0.763324D+00  0.111406D+01 -0.362160D+01  0.129431D+01  0.402349D+00
      2  -0.435252D+01 -0.167719D+01 -0.172084D+01  0.984995D+00 -0.490361D+00
      3   0.499600D+01  0.313329D+01  0.986559D+00 -0.216753D+00 -0.202054D+01
                66            67            68            69            70 
      1   0.969886D+00  0.123569D+00  0.128358D+01 -0.173702D+01  0.110635D+01
      2   0.223991D+01 -0.147363D-01  0.419727D+00 -0.345454D+00 -0.351857D+01
      3  -0.114862D+01  0.903221D+00 -0.220158D+00 -0.851631D+00 -0.301982D+01
                71            72            73            74            75 
      1   0.352308D+01  0.106767D+02  0.539004D+00 -0.987851D-01  0.869470D+00
      2  -0.671301D+00  0.754517D+01  0.536924D+01  0.307927D+01  0.486838D+01
      3  -0.177670D+01 -0.149751D+00  0.114619D+02 -0.302090D+01 -0.301859D+01
                76            77            78            79            80 
      1  -0.158263D+01  0.108098D+01 -0.237467D+01  0.105122D+01  0.323028D+01
      2   0.271447D+01  0.368098D+01 -0.426639D+01 -0.273491D+01 -0.184576D+01
      3   0.846724D+01  0.174449D+02 -0.338977D+01 -0.272235D+01 -0.695568D+01
                81            82            83            84            85 
      1  -0.280258D-01  0.272737D+00  0.935768D+00  0.268003D+00  0.480728D+00
      2   0.256824D+01 -0.280273D+01  0.107891D+00 -0.109088D+01  0.623149D+00
      3   0.143200D+01  0.211006D+00 -0.947731D-01 -0.230246D+00  0.200971D+01
                86            87            88            89            90 
      1  -0.324957D+00 -0.169094D+01  0.225050D+00  0.414818D+01  0.115608D+01
      2  -0.172117D+01  0.164530D+01 -0.535123D+01  0.104114D+01 -0.143682D+02
      3  -0.702955D+00  0.150712D+01 -0.413839D+00  0.252937D+01 -0.619461D+00
                91            92            93            94            95 
      1  -0.198996D+01  0.944310D+00 -0.135384D+01  0.444874D+00 -0.142389D+01
      2   0.986558D-01  0.542978D+00  0.899750D+00  0.106040D+01  0.317167D-01
      3   0.126899D+01 -0.235114D+01  0.149297D+01  0.263571D+00  0.104214D+01
                96            97            98            99           100 
      1  -0.294288D+00 -0.215425D+01  0.459548D+01 -0.915058D+01  0.240400D+01
      2   0.219701D+00 -0.412547D+01  0.300493D+00  0.499452D+01 -0.207028D+00
      3  -0.645917D+00  0.270020D+01 -0.214928D+01  0.160300D+01  0.936735D+01
               101           102           103           104           105 
      1  -0.237248D+01 -0.440036D+01 -0.107311D+01  0.774895D+01 -0.184425D+01
      2  -0.433343D+00  0.556705D+01  0.131117D+01 -0.119383D+01  0.143271D+01
      3  -0.113675D+02 -0.249861D+01 -0.574212D+00  0.112304D+02  0.346118D+01
               106           107           108           109           110 
      1  -0.285160D+01  0.522048D+01  0.346127D+01  0.386441D+01  0.135791D+01
      2  -0.191820D+01  0.996942D+00 -0.171592D+01  0.101850D+02 -0.306418D+01
      3  -0.554080D+01  0.547138D+01  0.197360D+01  0.803979D+01  0.924222D+01
               111           112           113           114           115 
      1  -0.155985D+01  0.212677D+01  0.201714D+01 -0.406184D+01 -0.223186D+01
      2   0.271290D+00 -0.367892D+01  0.114078D+02  0.709241D+01 -0.103234D+02
      3  -0.136345D+01  0.210556D+02 -0.249335D+01 -0.131160D+02 -0.318135D+00
               116           117           118           119           120 
      1  -0.371647D+01 -0.303356D+01  0.543639D-02  0.126212D+01  0.367114D+00
      2   0.756580D+01 -0.621712D+01 -0.289236D+01 -0.313363D+00 -0.421827D+00
      3  -0.123659D+02 -0.564953D+01  0.374293D+00  0.124925D+00  0.291469D+00
               121           122           123           124           125 
      1   0.291546D+00 -0.149528D+01 -0.267479D+00  0.201115D+00  0.530675D+01
      2  -0.760658D-01 -0.235925D+01  0.103181D+01 -0.647446D+01  0.506206D+00
      3   0.273355D+01 -0.168786D+01  0.183627D+01  0.649185D+00  0.255563D+01
               126           127           128           129           130 
      1  -0.169974D+01  0.137890D+01  0.602754D+00 -0.298741D+01  0.176063D+01
      2  -0.147875D+02 -0.260728D+01 -0.610829D+00  0.529754D+01  0.248683D+00
      3  -0.198985D+01  0.466162D+01 -0.617908D+01 -0.199875D+01  0.602011D+01
               131           132           133           134           135 
      1   0.133844D+02 -0.186750D+01 -0.118711D+01  0.753472D+01  0.715408D+01
      2  -0.562337D+01 -0.135629D+00 -0.101739D+01 -0.637261D+00 -0.358691D+01
      3   0.724861D+01  0.486513D+01 -0.602801D+01  0.100730D+02  0.326181D+01
               136           137           138           139           140 
      1  -0.200986D+01  0.987682D-01 -0.108244D+01  0.750318D+00 -0.140795D+01
      2   0.142713D+01  0.516151D+00  0.198828D+01  0.682006D+00  0.711550D+00
      3   0.845057D+00 -0.197349D+01  0.194496D+01  0.138795D+00  0.163565D+01
               141           142           143           144           145 
      1   0.367755D+00 -0.105959D+01  0.531446D+01 -0.105805D+02  0.123454D+01
      2  -0.126533D+01 -0.367329D+01  0.580194D-01  0.112167D+02  0.549783D+01
      3  -0.113420D+01  0.373215D+01 -0.188777D+01  0.274565D+01 -0.200123D+02
               146           147           148           149           150 
      1  -0.872378D+00  0.381987D+01 -0.214687D+00  0.526501D+00 -0.143390D+01
      2  -0.186299D+01  0.350368D+01 -0.132938D+01  0.849471D+00 -0.121919D+01
      3   0.107563D+01  0.249532D-01  0.363292D+01 -0.233262D+01 -0.599489D+00
               151           152           153           154           155 
      1   0.139148D+01 -0.457271D+00 -0.454138D+00  0.127758D+00  0.957420D-01
      2   0.877151D+00 -0.908424D+00 -0.772367D-01 -0.286668D+01 -0.212106D+01
      3  -0.235459D+01 -0.217044D+00 -0.628162D+00 -0.862784D+01 -0.940619D+01
               156           157           158           159           160 
      1  -0.869268D+00  0.532528D+00 -0.848693D+00 -0.102135D+01 -0.307870D+00
      2   0.484447D+01 -0.301664D+01 -0.309246D+01  0.466353D+01  0.268064D+01
      3   0.215739D+01 -0.810821D+01 -0.149946D+02  0.291569D+01  0.370952D+01
               161           162           163           164           165 
      1   0.748419D+00  0.401721D+00 -0.189732D+01  0.242278D+01  0.184599D+01
      2   0.201429D+01 -0.190953D+01  0.256298D+00 -0.735062D-01 -0.667026D+00
      3   0.500195D+01 -0.185578D+01 -0.614349D+01  0.601197D+01  0.212371D+01
               166           167           168           169           170 
      1   0.141069D+01 -0.736522D+01 -0.607006D+01  0.677163D+00 -0.286714D+01
      2  -0.448457D-01  0.620507D+00  0.149052D+01 -0.103522D+01  0.960054D+00
      3   0.777195D+01 -0.159813D+02 -0.246588D+01  0.346239D+01 -0.428397D+01
               171           172           173           174           175 
      1  -0.148840D+01  0.270836D+01  0.325988D+01  0.215602D+01  0.103606D+01
      2   0.433930D+00 -0.302901D-01 -0.656297D+01  0.145428D+02 -0.517541D+01
      3  -0.183069D+01 -0.885009D+01 -0.114785D+02  0.310683D+01 -0.711899D+01
               176           177           178           179           180 
      1   0.382542D+01 -0.428704D+01  0.867504D+00  0.541308D+01  0.574869D+01
      2  -0.279948D+01  0.539528D+01  0.600771D+01  0.935272D-01  0.136752D+02
      3  -0.663484D+01  0.106032D+01  0.223616D+01  0.207184D+01 -0.906169D+00
               181           182           183           184           185 
      1  -0.269138D+01 -0.210956D+01 -0.252529D+00 -0.232036D+01 -0.396278D+01
      2  -0.115097D+01 -0.254754D+00  0.488244D+01  0.916643D+00 -0.369139D+01
      3  -0.944439D+01 -0.983362D+01  0.268320D+01 -0.844350D+01 -0.152347D+02
               186           187           188           189           190 
      1   0.281667D+00  0.775402D+00  0.297242D+01 -0.878446D+00  0.867004D-01
      2   0.516011D+01  0.229576D+01  0.250078D+01 -0.197286D+01 -0.320875D+01
      3   0.586331D+01  0.237069D+01  0.510613D+01 -0.361991D+01  0.243386D+01
               191           192           193           194           195 
      1  -0.118072D+01  0.998186D+00 -0.156786D+01  0.362372D+01 -0.307081D+01
      2   0.122762D+01  0.290713D+01  0.739391D+00 -0.753875D+01 -0.108803D+02
      3  -0.511252D+01 -0.951951D+00 -0.463382D+01  0.163791D+02  0.874993D+01
               196           197           198           199           200 
      1   0.506648D+00  0.175569D+01 -0.157153D+01 -0.163663D+00  0.100739D+01
      2   0.181646D+01 -0.718131D+01 -0.943290D+01  0.807543D+00 -0.490177D-01
      3  -0.135572D+01  0.799725D+01  0.673902D+01 -0.100732D+01  0.175242D+01
               201           202           203           204           205 
      1   0.917774D+00 -0.404548D+00 -0.870147D+01 -0.756679D+01 -0.391783D+00
      2   0.133255D-01 -0.501584D+00  0.350621D+01  0.329392D+01 -0.651426D+00
      3   0.100631D+01  0.395090D+01 -0.147144D+02 -0.384768D+01  0.239943D+01
               206           207           208           209           210 
      1  -0.719788D+01 -0.493747D+01 -0.215343D+01 -0.299734D+01 -0.580228D+00
      2   0.354312D+01  0.218782D+01  0.653671D+01  0.553678D+01 -0.635124D+01
      3  -0.812080D+01 -0.363242D+01  0.806951D+01  0.685016D+01 -0.301728D+01
               211           212           213           214           215 
      1  -0.212320D+01 -0.311437D+01 -0.473562D+00  0.392637D+00  0.238341D+01
      2   0.511700D+01  0.817125D+01 -0.850225D+01 -0.369345D+01 -0.468822D+01
      3   0.775396D+01  0.971907D+01 -0.565869D+01 -0.229841D+01 -0.547598D+01
               216 
      1   0.574528D+00
      2   0.786386D+01
      3   0.416531D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.755818D+01 -0.803703D+01 -0.102389D+01 -0.544950D+01  0.952792D+01
      2  -0.276099D+01  0.123142D+02  0.168210D+00  0.835351D+01 -0.204279D+02
      3  -0.479719D+01 -0.427716D+01  0.855682D+00 -0.290401D+01  0.109000D+02
      4  -0.138233D+01 -0.749309D+01 -0.264900D+00 -0.124369D+02  0.107964D+02
      5   0.210248D+01 -0.207448D+01 -0.530718D+01 -0.493887D+01  0.173875D+01
      6   0.144093D+01  0.318735D+01  0.739169D+01  0.356681D+01 -0.954389D+01
                 6             7             8             9            10 
      1   0.443286D+01  0.163779D+01  0.539379D+01  0.901172D+01 -0.358291D+02
      2  -0.199355D+01  0.332011D+01 -0.147380D+02  0.449407D+01  0.194682D+02
      3  -0.243931D+01 -0.495790D+01  0.934418D+01 -0.135058D+02  0.163609D+02
      4   0.285898D+01 -0.214608D+01  0.680119D+01  0.824522D+01  0.578524D+01
      5   0.410288D+01 -0.433719D+01  0.501720D+01 -0.215601D+02 -0.226650D+01
      6  -0.121590D+02  0.667765D+01 -0.786113D+01  0.268294D+02 -0.691466D+00
                11            12            13            14            15 
      1  -0.309837D+00  0.297030D+01  0.363367D+01  0.968475D+01 -0.328687D+00
      2   0.347579D+01  0.271839D+01 -0.199857D+01 -0.266275D+01 -0.872886D+00
      3  -0.316595D+01 -0.568869D+01 -0.163510D+01 -0.702200D+01  0.120157D+01
      4  -0.790191D+00 -0.242761D+00  0.895003D+01  0.271003D+00 -0.258648D+01
      5  -0.819637D+00 -0.799680D+00  0.112297D+01 -0.147318D+01 -0.650346D+01
      6  -0.166637D-01  0.238929D+01 -0.127821D+01  0.566108D-01 -0.512336D+00
                16            17            18            19            20 
      1  -0.632438D+01  0.193457D+01  0.180147D+02 -0.432558D+01  0.595764D+01
      2   0.386789D+01 -0.552362D+01  0.564332D+01  0.104181D+01 -0.121581D+02
      3   0.245649D+01  0.358906D+01 -0.236580D+02  0.328378D+01  0.620044D+01
      4   0.310563D+01 -0.354966D+01 -0.382360D+01 -0.380449D+01 -0.106885D+02
      5   0.649028D+01 -0.410524D+01  0.313015D+02  0.112863D+01  0.416571D+01
      6   0.685577D+00  0.150396D+00  0.660145D+01  0.319553D-01  0.420641D+01
                21            22            23            24            25 
      1  -0.240681D+01  0.201785D+01 -0.309904D+01 -0.480826D+01  0.285933D+01
      2   0.152664D+00 -0.834911D+01 -0.163184D+01  0.291443D+01  0.425834D+01
      3   0.225414D+01  0.633126D+01  0.473088D+01  0.189383D+01 -0.711767D+01
      4   0.163089D+01 -0.167989D+02 -0.879436D+01  0.216640D+01  0.490389D+01
      5  -0.650963D+01  0.245189D+01  0.470426D+01 -0.804350D+00 -0.317811D+01
      6  -0.819604D+01  0.339129D+01  0.627754D+01 -0.397482D+01 -0.481489D+01
                26            27            28            29            30 
      1  -0.122662D+01  0.375449D+00 -0.196855D+02  0.101103D+02 -0.758754D+00
      2   0.620143D+01  0.951335D+01  0.100608D+02 -0.112388D+02  0.122210D+01
      3  -0.497481D+01 -0.988880D+01  0.962473D+01  0.112852D+01 -0.463341D+00
      4   0.804565D+01 -0.184361D+01 -0.186917D+01 -0.277341D+01 -0.106003D+01
      5   0.796798D+00 -0.141798D+02 -0.119934D+01 -0.204787D+01 -0.391962D+01
      6   0.988522D+00 -0.208331D+02 -0.541549D+00 -0.197257D+01 -0.179408D+01
                31            32            33            34            35 
      1   0.445810D+01  0.156233D+02 -0.505679D+01 -0.534800D+01 -0.104981D+01
      2  -0.347450D+01 -0.159189D+02 -0.404583D+01  0.199565D+01 -0.983928D+00
      3  -0.983598D+00  0.295610D+00  0.910262D+01  0.335235D+01  0.203374D+01
      4  -0.473901D+01 -0.110612D+02 -0.660366D+01  0.489409D+01 -0.337784D+01
      5   0.126362D+01 -0.952779D+01 -0.101044D+02  0.866556D+00 -0.300782D+01
      6  -0.492489D+01  0.449090D+01 -0.378091D+01 -0.205240D+01  0.892546D+00
                36            37            38            39            40 
      1   0.240049D+02  0.182315D+02 -0.206074D+01  0.197131D+01 -0.521539D+00
      2   0.169305D+02 -0.115828D+02  0.152896D+01 -0.116721D+01  0.170098D+01
      3  -0.409353D+02 -0.664875D+01  0.531782D+00 -0.804102D+00 -0.117944D+01
      4  -0.367491D+01 -0.948025D+01  0.191208D+02  0.308914D+00  0.177796D+02
      5   0.255795D+02  0.203990D+01  0.738273D+00  0.235435D+02 -0.188577D+01
      6   0.321477D+00  0.168593D+01  0.302322D+00  0.666317D+01  0.120662D+01
                41            42            43            44            45 
      1  -0.171141D+02  0.454791D+01  0.399585D+01  0.311645D+01 -0.830399D+01
      2   0.244358D+02  0.193366D+01 -0.502772D+01 -0.368847D+01 -0.555297D+01
      3  -0.732168D+01 -0.648157D+01  0.103187D+01  0.572020D+00  0.138570D+02
      4   0.351673D+00  0.872714D+00 -0.687351D+01 -0.862628D+00 -0.188285D+01
      5   0.212833D+01  0.376053D+01  0.730027D+01 -0.151739D+01  0.122665D+01
      6  -0.118489D+01  0.938991D+01 -0.124619D+01  0.736400D+01  0.407590D+00
                46            47            48            49            50 
      1  -0.162214D+02  0.496525D+01  0.241513D+01 -0.508968D+01 -0.128305D+01
      2   0.135392D+02 -0.717446D+01  0.126206D+01 -0.451808D+01 -0.782550D+01
      3   0.268225D+01  0.220921D+01 -0.367719D+01  0.960776D+01  0.910855D+01
      4   0.680442D+01 -0.206342D+02 -0.258444D+01 -0.208982D+02 -0.113221D+02
      5   0.155179D+01 -0.307677D+00 -0.229595D+02  0.279770D+01  0.250436D+01
      6  -0.124982D+01  0.211261D+01 -0.105452D+02  0.603390D+00  0.692269D+01
                51            52            53            54            55 
      1  -0.468181D+01  0.553436D+01 -0.453902D+01  0.812047D+01 -0.137685D+02
      2  -0.434648D+00  0.384651D+01  0.824659D+01  0.194963D+02  0.300303D+01
      3   0.511646D+01 -0.938087D+01 -0.370757D+01 -0.276168D+02  0.107655D+02
      4   0.339339D+01  0.217158D+01  0.597502D+01 -0.174258D+01  0.268197D+02
      5   0.325775D+01 -0.906800D+01 -0.278250D+00 -0.275846D+02 -0.746939D+00
      6  -0.537886D+01 -0.492401D+01 -0.337634D+00 -0.253983D+02  0.452926D+01
                56            57            58            59            60 
      1   0.452337D+01 -0.183694D+01  0.519530D+01 -0.309875D+02 -0.901962D+01
      2  -0.132064D+01  0.230162D+01 -0.673575D+01  0.499798D+02  0.652112D+01
      3  -0.320273D+01 -0.464676D+00  0.154044D+01 -0.189923D+02  0.249850D+01
      4   0.477393D+00  0.314621D+01  0.103951D+02 -0.219411D+02 -0.619069D+01
      5   0.179183D+00  0.575989D+01  0.278556D+01 -0.441951D+01 -0.222189D+01
      6  -0.146307D+01  0.524278D+00 -0.356435D+01  0.154930D+02  0.160369D+02
                61            62            63            64            65 
      1  -0.242540D+01 -0.116819D+02 -0.118354D+02  0.128128D+01  0.100534D+01
      2  -0.129628D+01  0.173338D+02  0.248050D+01 -0.367106D+01 -0.187192D+01
      3   0.372169D+01 -0.565194D+01  0.935494D+01  0.238978D+01  0.866584D+00
      4   0.105720D+02 -0.118626D+02 -0.669014D+01 -0.168635D+01  0.438401D+01
      5   0.789051D+01 -0.611683D+01 -0.384316D+01  0.469453D+01 -0.136072D+01
      6  -0.451675D+01  0.192184D+02  0.919165D+01 -0.398689D+01  0.402866D+00
                66            67            68            69            70 
      1   0.202786D+01  0.113054D+01 -0.449995D+01  0.353783D+01  0.169475D+01
      2  -0.299818D+01 -0.185248D+01  0.372813D+01 -0.296812D+01 -0.313545D+01
      3   0.970314D+00  0.721940D+00  0.771819D+00 -0.569710D+00  0.144070D+01
      4  -0.365286D+01  0.376445D+01 -0.325458D+01  0.283439D+01 -0.558213D+01
      5   0.993179D+01 -0.194278D+00  0.270034D+01 -0.183270D+01  0.784451D+01
      6  -0.271217D+01  0.109042D+01 -0.441195D+01  0.948545D+01 -0.435795D+01
                71            72            73            74            75 
      1   0.535326D+01 -0.151009D+02  0.552305D+02 -0.181591D+02  0.354052D+01
      2  -0.425524D+01 -0.135607D+02 -0.332067D+02  0.870229D+01 -0.336162D+01
      3  -0.109802D+01  0.286615D+02 -0.220238D+02  0.945683D+01 -0.178908D+00
      4   0.485179D+01 -0.515701D+01 -0.218806D+02  0.434009D+01  0.435001D+01
      5  -0.330559D+01  0.213163D+02  0.769755D+01  0.558208D+01  0.104697D+02
      6   0.890538D+01 -0.279032D+02  0.754881D+00  0.380005D+00 -0.206663D+01
                76            77            78            79            80 
      1  -0.358451D+02 -0.958534D+01  0.489177D+01  0.208424D+02  0.493411D+01
      2   0.196535D+02  0.919101D+01 -0.249626D+01 -0.117751D+02 -0.226015D+01
      3   0.161916D+02  0.394331D+00 -0.239551D+01 -0.906728D+01 -0.267395D+01
      4  -0.123717D+01 -0.231266D+02  0.747529D+01  0.444374D+01  0.973925D+01
      5   0.612750D+01  0.857084D+01 -0.678249D+01  0.124610D+02 -0.372367D+01
      6   0.200500D+01  0.196113D+01  0.560090D+01 -0.121756D+01  0.370254D+01
                81            82            83            84            85 
      1   0.849114D+00  0.108748D+01  0.239953D-01 -0.626347D+01  0.658134D+00
      2  -0.753656D+01 -0.400194D+01  0.137994D+00  0.735009D+00 -0.373103D+00
      3   0.668745D+01  0.291446D+01 -0.161989D+00  0.552846D+01 -0.285031D+00
      4  -0.352084D+01 -0.400571D+00  0.338406D+00 -0.169946D+00  0.339247D+00
      5   0.391148D+01 -0.219318D+01 -0.296019D+00  0.389942D+01 -0.170774D+00
      6   0.564492D+00 -0.719584D+00  0.569085D+00 -0.651318D+00  0.246367D+00
                86            87            88            89            90 
      1  -0.562457D+01  0.222539D+01 -0.896879D+01  0.192693D+01 -0.217112D+02
      2   0.978442D+00  0.535903D-01  0.394166D+01  0.677942D+00 -0.170991D+02
      3   0.464613D+01 -0.227898D+01  0.502713D+01 -0.260487D+01  0.388103D+02
      4   0.160948D+01 -0.259829D+01 -0.975228D+00 -0.468224D+01  0.204729D+01
      5  -0.295337D+01  0.277715D+01  0.475532D+01  0.268018D+01 -0.270954D+02
      6  -0.188984D+01  0.889307D+01 -0.182528D+00  0.532827D+01 -0.567275D+01
                91            92            93            94            95 
      1   0.277590D+01 -0.252084D+01  0.211052D+01 -0.200792D+01 -0.680580D+00
      2  -0.422705D+01  0.336201D+01 -0.194667D+01  0.254770D+01 -0.120912D+01
      3   0.145115D+01 -0.841162D+00 -0.163852D+00 -0.539779D+00  0.188970D+01
      4   0.291989D+00  0.381144D+01  0.117681D+01  0.424911D+01  0.640425D+00
      5   0.404762D+01 -0.102237D+01  0.739298D+01 -0.400887D+00  0.232100D+01
      6   0.216147D+01 -0.114304D+00  0.228925D+01  0.501158D+00  0.123370D+01
                96            97            98            99           100 
      1  -0.141150D+01  0.209949D+01 -0.329264D+01 -0.114573D+02  0.156649D+02
      2   0.213019D+01 -0.434352D+01  0.563551D+01 -0.162496D+02 -0.350446D+01
      3  -0.718691D+00  0.224402D+01 -0.234287D+01  0.277069D+02 -0.121604D+02
      4   0.267354D+01  0.310480D+01  0.388086D+01  0.113074D+01  0.244220D+02
      5   0.158160D+00  0.730144D+01 -0.631378D+00  0.167356D+02 -0.499588D+01
      6   0.538460D+01  0.276784D+01  0.382448D+01  0.183027D+02 -0.668429D+01
               101           102           103           104           105 
      1  -0.992773D+01 -0.555888D+00 -0.337800D+01  0.101883D+02  0.767138D+01
      2   0.238235D+02  0.338999D+01  0.136774D+02 -0.940562D+01 -0.918468D+01
      3  -0.138958D+02 -0.283411D+01 -0.102994D+02 -0.782653D+00  0.151330D+01
      4   0.272432D+02 -0.459566D+01  0.240083D+02  0.152182D+02 -0.451576D+01
      5  -0.152033D+01  0.118024D+02 -0.133020D+01 -0.843057D+01  0.174049D+01
      6  -0.351114D+01  0.770647D+01 -0.276029D+01 -0.120964D+02  0.904787D+01
               106           107           108           109           110 
      1  -0.319302D+01  0.120776D+02 -0.359876D+01  0.107523D+02 -0.186603D+02
      2   0.879922D+00 -0.187742D+02 -0.372603D+01 -0.763535D+01  0.146356D+02
      3   0.231310D+01  0.669665D+01  0.732479D+01 -0.311698D+01  0.402469D+01
      4  -0.938978D+01 -0.115746D+02  0.725751D+01 -0.155932D+02 -0.168499D+02
      5   0.103572D+02  0.415732D+01 -0.393939D+01  0.780276D+01  0.268998D+01
      6   0.883262D+01  0.117396D+02 -0.813617D+01 -0.601981D+00  0.541833D+01
               111           112           113           114           115 
      1   0.891480D+01 -0.198274D+02 -0.215365D+02  0.637907D+01  0.735526D+01
      2  -0.111564D+01  0.152626D+02  0.603924D+01 -0.109344D+02 -0.236908D+01
      3  -0.779916D+01  0.456485D+01  0.154972D+02  0.455531D+01 -0.498618D+01
      4  -0.667847D-01 -0.298127D+02  0.138166D+02  0.294798D+02  0.387521D+00
      5  -0.109821D+02  0.186398D+01  0.340572D+02  0.161056D+02 -0.383046D+02
      6   0.334295D+01  0.113327D+02 -0.127364D+02 -0.126675D+02  0.103636D+02
               116           117           118           119           120 
      1   0.749670D+01 -0.155567D+02  0.147058D+01 -0.437283D+00 -0.530438D+01
      2  -0.645146D+01  0.875742D+01 -0.497464D+01  0.372252D+00  0.891783D+00
      3  -0.104523D+01  0.679932D+01  0.350406D+01  0.650313D-01  0.441259D+01
      4   0.226729D+02  0.199464D+02 -0.384867D+00  0.176989D+01  0.129500D+01
      5   0.189597D+02 -0.567477D+01 -0.342161D+01  0.865146D-01  0.675125D+01
      6  -0.225237D+02 -0.456401D+01  0.694065D+00  0.936168D+00 -0.260518D+00
               121           122           123           124           125 
      1  -0.160812D+00 -0.633971D+01  0.643622D+00 -0.543816D+01  0.136116D+01
      2  -0.343338D+00  0.130275D+01  0.177087D+01  0.591019D+01  0.112803D+01
      3   0.504150D+00  0.503696D+01 -0.241450D+01 -0.472034D+00 -0.248918D+01
      4   0.172188D+01  0.181295D+01 -0.202582D+01  0.142962D+01 -0.276476D+01
      5  -0.514649D+00 -0.278816D+01  0.273146D+01  0.826018D+01  0.146340D+01
      6   0.403698D+00 -0.284086D+00  0.898002D+01  0.679584D+00  0.637821D+01
               126           127           128           129           130 
      1  -0.270995D+02  0.131762D+02 -0.271337D+01 -0.204325D+01  0.330587D+01
      2  -0.231641D+02  0.576223D+00  0.133542D+02  0.244686D+01  0.659204D+01
      3   0.502636D+02 -0.137524D+02 -0.106408D+02 -0.403617D+00 -0.989791D+01
      4   0.172967D+01  0.187255D+02  0.253669D+02 -0.413610D+01  0.227975D+02
      5  -0.251979D+02 -0.287940D+01 -0.311706D+00  0.946608D+01 -0.186017D+01
      6   0.330372D+01 -0.398891D+01 -0.815522D+00  0.610622D+01 -0.126254D+01
               131           132           133           134           135 
      1   0.842852D+01  0.120098D+02 -0.576779D+01  0.199754D+02  0.128854D+00
      2  -0.626111D+01 -0.166688D+02 -0.139951D+00 -0.352395D+02 -0.936096D+01
      3  -0.216741D+01  0.465900D+01  0.590774D+01  0.152641D+02  0.923211D+01
      4   0.103295D+02 -0.839714D+01 -0.116976D+02 -0.213654D+02  0.284922D+01
      5  -0.962839D+01 -0.459412D+00  0.867924D+01 -0.398616D+00 -0.601073D+01
      6  -0.240184D+02  0.479363D+01  0.556418D+01  0.332832D+01 -0.131532D+02
               136           137           138           139           140 
      1   0.202915D+01 -0.313414D+00  0.242755D+01 -0.138938D+01 -0.269133D+01
      2  -0.538516D+01  0.516984D+00 -0.297528D+01  0.240645D+01 -0.960702D-02
      3   0.335601D+01 -0.203570D+00  0.547730D+00 -0.101707D+01  0.270094D+01
      4   0.164482D+01  0.423224D+01  0.379829D+01  0.422231D+01  0.673898D+00
      5   0.610089D+01  0.984637D+00  0.116945D+02 -0.661493D+00  0.299699D+01
      6   0.394856D+01  0.945743D+00  0.307773D+01  0.853134D+00  0.214008D+01
               141           142           143           144           145 
      1  -0.130520D+01  0.946318D+00 -0.293823D+01 -0.176438D+02  0.235638D+02
      2   0.396928D+01 -0.509576D+01  0.375245D+01 -0.219038D+02 -0.110666D+01
      3  -0.266408D+01  0.414945D+01 -0.814218D+00  0.395477D+02 -0.224571D+02
      4   0.231619D+01  0.653634D+01  0.607549D+01  0.306868D+01 -0.423907D+02
      5  -0.287622D+01  0.119199D+02  0.238528D+01  0.266166D+02 -0.479695D+01
      6   0.602794D+01  0.509981D+01  0.728908D+01  0.248157D+02  0.470665D+00
               146           147           148           149           150 
      1  -0.255036D+01  0.130131D+01 -0.337836D+01  0.108090D+01  0.617602D-01
      2  -0.107723D+02 -0.311602D+00 -0.384297D+01  0.618006D+01 -0.615437D+00
      3   0.133226D+02 -0.989712D+00  0.722133D+01 -0.726095D+01  0.553677D+00
      4   0.246369D+02  0.170603D+01  0.151777D+02 -0.101804D+02 -0.529534D+00
      5   0.249348D+01  0.493692D+01  0.163171D+01 -0.459057D+00 -0.240358D+01
      6  -0.234494D+01 -0.664168D+01 -0.107543D+01  0.678665D+00  0.240174D+01
               151           152           153           154           155 
      1   0.241181D+01 -0.216863D+00  0.831191D+00  0.367564D+02  0.166647D+02
      2  -0.228320D+00 -0.107258D+01  0.217378D-01 -0.189587D+02 -0.844804D+01
      3  -0.218349D+01  0.128944D+01 -0.852929D+00 -0.177977D+02 -0.821669D+01
      4  -0.385250D+01  0.189808D+01 -0.333581D+01  0.167062D+02  0.161453D+02
      5   0.383771D+01 -0.182180D+01 -0.442409D+00 -0.685718D+01 -0.427794D+01
      6  -0.315077D+01  0.299319D+01  0.143225D+01 -0.120668D+01 -0.715270D+00
               156           157           158           159           160 
      1  -0.598130D+01  0.313963D+02  0.151374D+02 -0.498013D+01 -0.117628D+02
      2   0.285203D+01 -0.164558D+02 -0.555976D+01  0.265177D+01  0.702513D+01
      3   0.312928D+01 -0.149405D+02 -0.957766D+01  0.232837D+01  0.473766D+01
      4  -0.366315D+01  0.191041D+02  0.212649D+02 -0.575844D+01 -0.662995D+01
      5   0.870614D+01 -0.681338D+01 -0.629207D+01  0.775590D+01  0.849624D+01
      6   0.109171D+01 -0.167290D+01 -0.165387D+01  0.110770D+01  0.149700D+01
               161           162           163           164           165 
      1  -0.611129D+01  0.598062D+01 -0.278187D+01  0.901869D+01  0.712750D+00
      2   0.343452D+01 -0.373251D+01  0.407360D+01 -0.137483D+02 -0.206269D+01
      3   0.267677D+01 -0.224811D+01 -0.129173D+01  0.472957D+01  0.134994D+01
      4  -0.745555D+01  0.390222D+01 -0.304738D+01 -0.967116D+00  0.141770D+01
      5   0.467778D+01 -0.438512D+01  0.458153D+00 -0.125327D+01 -0.175507D+01
      6   0.214165D+01 -0.158721D+01  0.175447D+01 -0.103694D+00 -0.164591D+01
               166           167           168           169           170 
      1   0.518654D+01 -0.305740D+02 -0.227898D+01  0.153577D+01 -0.750610D+01
      2  -0.422466D+01  0.532282D+02  0.619734D+01 -0.124532D+01  0.123322D+02
      3  -0.961883D+00 -0.226543D+02 -0.391836D+01 -0.290455D+00 -0.482611D+01
      4   0.749194D+01  0.146195D+02  0.969268D+00  0.224819D+01  0.368862D+01
      5  -0.144016D+01  0.357950D+01  0.340014D+01  0.498096D+00  0.231715D+01
      6  -0.906739D+00  0.592546D+00  0.777549D+01 -0.803255D+00  0.567787D+01
               171           172           173           174           175 
      1  -0.372768D+01  0.358774D+02  0.107821D+02  0.326826D+01  0.155597D+02
      2   0.480405D+01 -0.213044D+02 -0.904555D+01 -0.649275D+01 -0.118048D+02
      3  -0.107637D+01 -0.145730D+02 -0.173654D+01  0.322449D+01 -0.375497D+01
      4   0.973547D+00 -0.433155D+01  0.167411D+02 -0.768744D+01  0.156806D+02
      5   0.388741D+00  0.177165D+02 -0.462992D+01  0.232169D+02 -0.229275D+01
      6   0.189560D+01 -0.555638D+00  0.931810D+01 -0.806059D+01  0.619315D+01
               176           177           178           179           180 
      1   0.156848D+02 -0.644888D+01  0.835474D+01 -0.108859D+02  0.104690D+02
      2  -0.578744D+01  0.333176D+01 -0.833229D+01  0.440795D+01 -0.231991D+02
      3  -0.989735D+01  0.311712D+01 -0.224508D-01  0.647799D+01  0.127300D+02
      4   0.307549D+01  0.209100D+01 -0.903712D+01 -0.570273D+00 -0.100178D+02
      5   0.341762D+01  0.547234D+01  0.368381D+02 -0.895598D+01  0.299476D+02
      6   0.478011D+01  0.158514D+01 -0.109196D+02  0.130490D+02 -0.184274D+01
               181           182           183           184           185 
      1   0.371092D+02  0.185401D+02 -0.937362D+01  0.299264D+02  0.153621D+02
      2  -0.207678D+02 -0.103641D+02  0.595969D+01 -0.174284D+02 -0.615029D+01
      3  -0.163414D+02 -0.817592D+01  0.341393D+01 -0.124980D+02 -0.921180D+01
      4   0.163632D+02  0.155561D+02 -0.392066D+01  0.179012D+02  0.222640D+02
      5  -0.141399D+02 -0.662057D+01  0.125524D+02 -0.105171D+02 -0.134573D+02
      6  -0.172408D+01 -0.314723D+01  0.428774D+00 -0.360442D+01 -0.294911D+01
               186           187           188           189           190 
      1  -0.627667D+01 -0.105350D+02 -0.366934D+01  0.769536D+01  0.113541D+02
      2   0.562554D+01  0.755071D+01  0.381913D+01 -0.725218D+01 -0.334004D+01
      3   0.651132D+00  0.298427D+01 -0.149792D+00 -0.443175D+00 -0.801408D+01
      4  -0.108501D+02 -0.406547D+01 -0.842459D+01  0.570470D+01 -0.129564D+02
      5   0.113167D+02  0.152310D+02  0.790440D+01 -0.881186D+01 -0.123395D+02
      6   0.328255D+01  0.901431D+00  0.476768D+01 -0.260183D+01  0.581483D+01
               191           192           193           194           195 
      1  -0.735193D+01 -0.829490D+01 -0.121758D+02  0.262171D+01 -0.143372D+01
      2   0.101996D+01  0.388977D+01  0.134332D+01  0.127406D+02  0.482431D+01
      3   0.633196D+01  0.440513D+01  0.108325D+02 -0.153623D+02 -0.339059D+01
      4   0.156750D+02  0.741845D+01  0.271941D+02 -0.398686D+02 -0.220037D+02
      5   0.687354D+01  0.110598D+02  0.134035D+02 -0.236955D+02 -0.245911D+02
      6  -0.457792D+01 -0.431037D+01 -0.922259D+01  0.196870D+02  0.174250D+02
               196           197           198           199           200 
      1  -0.910620D+01 -0.134541D+01  0.182701D+00 -0.148872D+00  0.522993D+01
      2   0.483841D+01  0.290356D+01 -0.209659D+01  0.229788D+01 -0.595982D+01
      3   0.426779D+01 -0.155816D+01  0.191389D+01 -0.214900D+01  0.729888D+00
      4   0.113888D+02 -0.183816D+02 -0.176291D+02  0.249656D+01  0.476360D+01
      5   0.172549D+02 -0.188208D+02 -0.237407D+02  0.629302D+00  0.305854D+00
      6  -0.740148D+01  0.154402D+02  0.156508D+02  0.193026D+01 -0.208961D+01
               201           202           203           204           205 
      1   0.182199D+01  0.206159D+01 -0.315657D+02 -0.816610D+01  0.133304D+01
      2  -0.174799D+01  0.216538D+01  0.579854D+02  0.140403D+02  0.510591D+00
      3  -0.739959D-01 -0.422697D+01 -0.264198D+02 -0.587423D+01 -0.184364D+01
      4   0.166001D+01  0.944679D+01  0.267284D+02  0.573178D+01  0.468578D+01
      5   0.606047D+00  0.838038D+00  0.811372D+01  0.644657D+01  0.173050D+01
      6  -0.144173D+01  0.111017D+01  0.178565D+02  0.130465D+02  0.118242D+01
               206           207           208           209           210 
      1  -0.172111D+02 -0.856942D+01 -0.149091D+02 -0.115269D+02  0.837951D+01
      2   0.282900D+02  0.123034D+02  0.924263D+01  0.773197D+01 -0.281985D+01
      3  -0.110789D+02 -0.373399D+01  0.566648D+01  0.379496D+01 -0.555966D+01
      4   0.134251D+02  0.581468D+01  0.837688D+00 -0.714686D+01  0.388482D+01
      5   0.757815D+01  0.438747D+01 -0.161973D+01  0.219165D+01 -0.799422D+01
      6   0.170310D+02  0.102999D+02 -0.326639D+01 -0.690705D+01  0.731475D+01
               211           212           213           214           215 
      1  -0.164327D+02 -0.159310D+02  0.996273D+01  0.925930D+01  0.827205D+01
      2   0.995116D+01  0.134057D+02 -0.608510D+01 -0.396562D+01 -0.500823D+01
      3   0.648156D+01  0.252537D+01 -0.387763D+01 -0.529368D+01 -0.326381D+01
      4   0.385548D+00 -0.122340D+02  0.771084D+01  0.377364D+00  0.781771D+01
      5  -0.126603D+01  0.629205D+01 -0.104461D+02  0.156155D+01 -0.356467D+01
      6  -0.371760D+01 -0.116534D+02  0.977169D+01  0.302502D+01  0.777111D+01
               216 
      1  -0.876785D+01
      2   0.228102D+01
      3   0.648683D+01
      4  -0.335174D+01
      5   0.956846D+01
      6  -0.817587D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.187234D+01      0.475900D+01      0.158743D+02
   x         -0.132696D+01     -0.337281D+01     -0.112505D+02
   y         -0.917078D+00     -0.233098D+01     -0.777531D+01
   z         -0.950671D+00     -0.241637D+01     -0.806013D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119693D+03      0.177367D+02      0.197347D+02
   aniso      0.167846D+02      0.248722D+01      0.276740D+01
   xx         0.127409D+03      0.188801D+02      0.210069D+02
   yx         0.283209D+01      0.419673D+00      0.466949D+00
   yy         0.121811D+03      0.180505D+02      0.200839D+02
   zx        -0.233453D+01     -0.345942D+00     -0.384913D+00
   zy        -0.256793D+00     -0.380529D-01     -0.423395D-01
   zz         0.109858D+03      0.162793D+02      0.181132D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114503D+03      0.169676D+02      0.188790D+02
   aniso      0.208208D+02      0.308532D+01      0.343288D+01
   xx         0.124687D+03      0.184767D+02      0.205580D+02
   yx         0.168938D+01      0.250340D+00      0.278540D+00
   yy         0.117259D+03      0.173760D+02      0.193334D+02
   zx        -0.148603D+01     -0.220206D+00     -0.245013D+00
   zy        -0.251602D+00     -0.372836D-01     -0.414836D-01
   zz         0.101563D+03      0.150500D+02      0.167454D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.30858932         -2.38213118          0.11112544
     6         -2.33440204         -0.32943311          1.83216983
     6          0.37758865         -1.26326876         -1.92462610
     6          2.42339518          0.38946417         -0.73304315
     8          1.27459621          2.26777433          0.83318019
     6         -0.15724731          1.24861777          2.86357868
     8         -3.27691562         -3.72878232         -1.13616830
     1         -0.18130984         -3.69497968          1.25444812
     8         -3.69621263         -1.54026214          3.80321579
     1         -3.57256997          0.92830329          0.74795605
     1         -0.77982890         -0.08601489         -3.17300851
     8          1.59354419         -3.20030207         -3.33585154
     6          4.00944964          1.80344563         -2.65962670
     1          3.68110311         -0.81102348          0.39921983
     8         -1.18420063          3.23728958          4.24637005
     1          1.08053381          0.07446880          4.04602312
     1         -4.31151596         -4.52415928          0.13767655
     1         -4.43862019         -0.24787755          4.85430332
     1          0.30057894         -4.37221485         -3.87010105
     8          2.54355041          3.47936124         -4.16645258
     1          4.88803552          0.45561124         -3.94148190
     1          5.50040302          2.83052078         -1.65833384
     1          0.09429777          3.94124085          5.33957420
     1          1.64282847          4.58532858         -3.02809269

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.187234D+01      0.475900D+01      0.158743D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.187234D+01      0.475900D+01      0.158743D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119693D+03      0.177367D+02      0.197347D+02
   aniso      0.167846D+02      0.248722D+01      0.276740D+01
   xx         0.119550D+03      0.177155D+02      0.197112D+02
   yx         0.276472D+01      0.409689D+00      0.455840D+00
   yy         0.117829D+03      0.174604D+02      0.194273D+02
   zx        -0.791111D+01     -0.117230D+01     -0.130437D+01
   zy         0.446279D+01      0.661317D+00      0.735814D+00
   zz         0.121700D+03      0.180340D+02      0.200656D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.114503D+03      0.169676D+02      0.188790D+02
   aniso      0.208208D+02      0.308532D+01      0.343288D+01
   xx         0.113482D+03      0.168163D+02      0.187106D+02
   yx         0.518776D+01      0.768747D+00      0.855346D+00
   yy         0.113105D+03      0.167604D+02      0.186485D+02
   zx        -0.979490D+01     -0.145145D+01     -0.161496D+01
   zy         0.415040D+01      0.615025D+00      0.684308D+00
   zz         0.116921D+03      0.173260D+02      0.192777D+02

 ----------------------------------------------------------------------
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 Experience is what you get when you don't get what you want.
 -- Dan Stanford
 Job cpu time:       0 days  4 hours 40 minutes 42.1 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 13.6 seconds.
 File lengths (MBytes):  RWF=    436 Int=      0 D2E=      0 Chk=     20 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 19:50:19 2022.
